lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 120A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXJ8
Assay: Binding affinity to human TMEM120A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 650.77 nM (pChEMBL 6.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 120A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXJ8
Assay: Binding affinity to human TMEM120A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1329.48 nM (pChEMBL 5.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 126A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H061
Assay: Binding affinity to human TMEM126A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1844.18 nM (pChEMBL 5.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 126A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H061
Assay: Binding affinity to human TMEM126A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1844.18 nM (pChEMBL 5.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 14C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0S9
Assay: Binding affinity to human TMEM14C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 112.68 nM (pChEMBL 6.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 14C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0S9
Assay: Binding affinity to human TMEM14C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 112.68 nM (pChEMBL 6.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 161A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX61
Assay: Binding affinity to human TMEM161A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 434.27 nM (pChEMBL 6.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 161A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX61
Assay: Binding affinity to human TMEM161A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 434.27 nM (pChEMBL 6.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 164 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5U3C3
Assay: Binding affinity to human TMEM164 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2560.77 nM (pChEMBL 5.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 164 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5U3C3
Assay: Binding affinity to human TMEM164 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3040.72 nM (pChEMBL 5.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Putative divalent cation/proton antiporter TMEM165 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC07
Assay: Binding affinity to human TMEM165 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.11 nM (pChEMBL 7.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Putative divalent cation/proton antiporter TMEM165 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC07
Assay: Binding affinity to human TMEM165 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.11 nM (pChEMBL 7.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 205 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6UW68
Assay: Binding affinity to human TMEM205 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8222.95 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 205 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6UW68
Assay: Binding affinity to human TMEM205 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8222.95 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 33 (SINGLE PROTEIN), Homo sapiens
UniProt: P57088
Assay: Binding affinity to human TMEM33 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.302 nM (pChEMBL 8.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 33 (SINGLE PROTEIN), Homo sapiens
UniProt: P57088
Assay: Binding affinity to human TMEM33 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.302 nM (pChEMBL 8.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 41B (SINGLE PROTEIN), Homo sapiens
UniProt: Q5BJD5
Assay: Binding affinity to human TMEM41B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2009.47 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 41B (SINGLE PROTEIN), Homo sapiens
UniProt: Q5BJD5
Assay: Binding affinity to human TMEM41B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2009.47 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 43 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BTV4
Assay: Binding affinity to human TMEM43 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10627.41 nM (pChEMBL 4.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 43 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BTV4
Assay: Binding affinity to human TMEM43 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10627.41 nM (pChEMBL 4.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mechanosensitive cation channel TMEM63A (SINGLE PROTEIN), Homo sapiens
UniProt: O94886
Assay: Binding affinity to human TMEM63A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1081.53 nM (pChEMBL 5.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mechanosensitive cation channel TMEM63A (SINGLE PROTEIN), Homo sapiens
UniProt: O94886
Assay: Binding affinity to human TMEM63A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1081.53 nM (pChEMBL 5.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 70, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUB7
Assay: Binding affinity to human TMEM70 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 84048.15 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transmembrane protein 70, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUB7
Assay: Binding affinity to human TMEM70 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 84048.15 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sigma intracellular receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5BJF2
Assay: Binding affinity to human TMEM97 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 91.09 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sigma intracellular receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5BJF2
Assay: Binding affinity to human TMEM97 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 91.09 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lamina-associated polypeptide 2, isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P42166
Assay: Binding affinity to human TMPO (P42166) incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6612.85 nM (pChEMBL 5.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lamina-associated polypeptide 2, isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P42166
Assay: Binding affinity to human TMPO (P42166) incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6612.85 nM (pChEMBL 5.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lamina-associated polypeptide 2, isoforms beta/gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P42167
Assay: Binding affinity to human TMPO (P42167) incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.805 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lamina-associated polypeptide 2, isoforms beta/gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P42167
Assay: Binding affinity to human TMPO (P42167) incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.805 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Thymosin beta-10 (SINGLE PROTEIN), Homo sapiens
UniProt: P63313
Assay: Binding affinity to human TMSB10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41.48 nM (pChEMBL 7.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Thymosin beta-10 (SINGLE PROTEIN), Homo sapiens
UniProt: P63313
Assay: Binding affinity to human TMSB10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 64.23 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Thymosin beta-4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62328
Assay: Binding affinity to human TMSB4X incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3996.49 nM (pChEMBL 5.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Thymosin beta-4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62328
Assay: Binding affinity to human TMSB4X incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3996.49 nM (pChEMBL 5.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Thioredoxin-related transmembrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3N1
Assay: Binding affinity to human TMX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 131076.3 nM (pChEMBL 3.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: TRAF2 and NCK-interacting protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UKE5
Assay: Binding affinity to human TNIK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 75.1 nM (pChEMBL 7.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: TRAF2 and NCK-interacting protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UKE5
Assay: Binding affinity to human TNIK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 75.1 nM (pChEMBL 7.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Non-receptor tyrosine-protein kinase TNK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13470
Assay: Binding affinity to human TNK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27.68 nM (pChEMBL 7.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Non-receptor tyrosine-protein kinase TNK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13470
Assay: Binding affinity to human TNK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 63.99 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: Binding affinity to human TNK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4631.78 nM (pChEMBL 5.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: Binding affinity to human TNK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10289.13 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 182 kDa tankyrase-1-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9C0C2
Assay: Binding affinity to human TNKS1BP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.19 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 182 kDa tankyrase-1-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9C0C2
Assay: Binding affinity to human TNKS1BP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.19 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transportin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92973
Assay: Binding affinity to human TNPO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 463.8 nM (pChEMBL 6.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transportin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92973
Assay: Binding affinity to human TNPO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 463.8 nM (pChEMBL 6.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transportin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5L0
Assay: Binding affinity to human TNPO3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 669.06 nM (pChEMBL 6.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transportin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5L0
Assay: Binding affinity to human TNPO3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 669.06 nM (pChEMBL 6.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tensin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IZW8
Assay: Binding affinity to human TNS4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7692.38 nM (pChEMBL 5.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tensin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IZW8
Assay: Binding affinity to human TNS4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8672.15 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM22 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NS69
Assay: Binding affinity to human TOMM22 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 40317.01 nM (pChEMBL 4.389999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM22 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NS69
Assay: Binding affinity to human TOMM22 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 40317.01 nM (pChEMBL 4.389999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15785
Assay: Binding affinity to human TOMM34 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21.89 nM (pChEMBL 7.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM34 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15785
Assay: Binding affinity to human TOMM34 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM40 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: O96008
Assay: Binding affinity to human TOMM40 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1431831.02 nM (pChEMBL 2.8399999141693115)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM70 (SINGLE PROTEIN), Homo sapiens
UniProt: O94826
Assay: Binding affinity to human TOMM70A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.79 nM (pChEMBL 8.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial import receptor subunit TOM70 (SINGLE PROTEIN), Homo sapiens
UniProt: O94826
Assay: Binding affinity to human TOMM70A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.79 nM (pChEMBL 8.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA topoisomerase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11387
Assay: Binding affinity to human TOP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.526 nM (pChEMBL 8.1899995803833)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA topoisomerase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11387
Assay: Binding affinity to human TOP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.526 nM (pChEMBL 8.1899995803833)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA topoisomerase 2-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P11388
Assay: Binding affinity to human TOP2A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.27 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA topoisomerase 2-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P11388
Assay: Binding affinity to human TOP2A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 58.51 nM (pChEMBL 7.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA topoisomerase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q02880
Assay: Binding affinity to human TOP2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 732222.23 nM (pChEMBL 3.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Torsin-1A-interacting protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5JTV8
Assay: Binding affinity to human TOR1AIP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 293.13 nM (pChEMBL 6.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Torsin-1A-interacting protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5JTV8
Assay: Binding affinity to human TOR1AIP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 293.13 nM (pChEMBL 6.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: EKC/KEOPS complex subunit TP53RK (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S44
Assay: Binding affinity to human TP53RK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 484.62 nM (pChEMBL 6.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: EKC/KEOPS complex subunit TP53RK (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S44
Assay: Binding affinity to human TP53RK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 484.62 nM (pChEMBL 6.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tumor protein D54 (SINGLE PROTEIN), Homo sapiens
UniProt: O43399
Assay: Binding affinity to human TPD52L2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 384106.61 nM (pChEMBL 3.4200000762939453)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Triosephosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P60174
Assay: Binding affinity to human TPI1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 62.46 nM (pChEMBL 7.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Triosephosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P60174
Assay: Binding affinity to human TPI1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 62.46 nM (pChEMBL 7.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tropomyosin alpha-3 chain (SINGLE PROTEIN), Homo sapiens
UniProt: P06753
Assay: Binding affinity to human TPM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18922.62 nM (pChEMBL 4.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tropomyosin alpha-3 chain (SINGLE PROTEIN), Homo sapiens
UniProt: P06753
Assay: Binding affinity to human TPM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18922.62 nM (pChEMBL 4.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tropomyosin alpha-4 chain (SINGLE PROTEIN), Homo sapiens
UniProt: P67936
Assay: Binding affinity to human TPM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1220.12 nM (pChEMBL 5.909999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tropomyosin alpha-4 chain (SINGLE PROTEIN), Homo sapiens
UniProt: P67936
Assay: Binding affinity to human TPM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2041.73 nM (pChEMBL 5.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tripeptidyl-peptidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14773
Assay: Binding affinity to human TPP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5314558.54 nM (pChEMBL 2.2699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tripeptidyl-peptidase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29144
Assay: Binding affinity to human TPP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 486.92 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tripeptidyl-peptidase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29144
Assay: Binding affinity to human TPP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 486.92 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleoprotein TPR (SINGLE PROTEIN), Homo sapiens
UniProt: P12270
Assay: Binding affinity to human TPR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7759.97 nM (pChEMBL 5.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleoprotein TPR (SINGLE PROTEIN), Homo sapiens
UniProt: P12270
Assay: Binding affinity to human TPR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7759.97 nM (pChEMBL 5.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: EKC/KEOPS complex subunit TPRKB (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3C4
Assay: Binding affinity to human TPRKB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 521.02 nM (pChEMBL 6.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: EKC/KEOPS complex subunit TPRKB (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3C4
Assay: Binding affinity to human TPRKB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 550.3 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translationally-controlled tumor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P13693
Assay: Binding affinity to human TPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 821.19 nM (pChEMBL 6.090000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translationally-controlled tumor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P13693
Assay: Binding affinity to human TPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 821.19 nM (pChEMBL 6.090000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transformer-2 protein homolog beta (SINGLE PROTEIN), Homo sapiens
UniProt: P62995
Assay: Binding affinity to human TRA2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 537.26 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transformer-2 protein homolog beta (SINGLE PROTEIN), Homo sapiens
UniProt: P62995
Assay: Binding affinity to human TRA2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 537.26 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: TNF receptor-associated factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12933
Assay: Binding affinity to human TRAF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 565.67 nM (pChEMBL 6.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: TNF receptor-associated factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12933
Assay: Binding affinity to human TRAF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 679.95 nM (pChEMBL 6.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: TRAF-type zinc finger domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14545
Assay: Binding affinity to human TRAFD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27809.07 nM (pChEMBL 4.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: TRAF-type zinc finger domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14545
Assay: Binding affinity to human TRAFD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27809.07 nM (pChEMBL 4.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translocating chain-associated membrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15629
Assay: Binding affinity to human TRAM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 362.24 nM (pChEMBL 6.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translocating chain-associated membrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15629
Assay: Binding affinity to human TRAM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 362.24 nM (pChEMBL 6.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein 75 kDa, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q12931
Assay: Binding affinity to human TRAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9002.11 nM (pChEMBL 5.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein 75 kDa, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q12931
Assay: Binding affinity to human TRAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9002.11 nM (pChEMBL 5.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: E3 ubiquitin/ISG15 ligase TRIM25 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14258
Assay: Binding affinity to human TRIM25 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.79 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: E3 ubiquitin/ISG15 ligase TRIM25 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14258
Assay: Binding affinity to human TRIM25 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.79 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transcription intermediary factor 1-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13263
Assay: Binding affinity to human TRIM28 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 78.69 nM (pChEMBL 7.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transcription intermediary factor 1-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13263
Assay: Binding affinity to human TRIM28 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 78.69 nM (pChEMBL 7.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase TRIM4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9C037
Assay: Binding affinity to human TRIM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 141.44 nM (pChEMBL 6.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase TRIM4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9C037
Assay: Binding affinity to human TRIM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 168.51 nM (pChEMBL 6.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tripartite motif-containing protein 59 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IWR1
Assay: Binding affinity to human TRIM59 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.792 nM (pChEMBL 8.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tripartite motif-containing protein 59 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IWR1
Assay: Binding affinity to human TRIM59 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.847 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pachytene checkpoint protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q15645
Assay: Binding affinity to human TRIP13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.09 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pachytene checkpoint protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q15645
Assay: Binding affinity to human TRIP13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.09 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: tRNA (guanine(26)-N(2))-dimethyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXH9
Assay: Binding affinity to human TRMT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.775 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: tRNA (guanine(26)-N(2))-dimethyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXH9
Assay: Binding affinity to human TRMT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.775 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: tRNA (guanine(27)-N(2))-dimethyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z2T5
Assay: Binding affinity to human TRMT1L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15.36 nM (pChEMBL 7.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: tRNA (guanine(27)-N(2))-dimethyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z2T5
Assay: Binding affinity to human TRMT1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15.36 nM (pChEMBL 7.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RNA-binding protein RO60 (SINGLE PROTEIN), Homo sapiens
UniProt: P10155
Assay: Binding affinity to human TROVE2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.52 nM (pChEMBL 7.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RNA-binding protein RO60 (SINGLE PROTEIN), Homo sapiens
UniProt: P10155
Assay: Binding affinity to human TROVE2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20.52 nM (pChEMBL 7.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transformation/transcription domain-associated protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4A5
Assay: Binding affinity to human TRRAP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1746.23 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transformation/transcription domain-associated protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4A5
Assay: Binding affinity to human TRRAP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1746.23 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translin (SINGLE PROTEIN), Homo sapiens
UniProt: Q15631
Assay: Binding affinity to human TSN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.007 nM (pChEMBL 9)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translin (SINGLE PROTEIN), Homo sapiens
UniProt: Q15631
Assay: Binding affinity to human TSN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.007 nM (pChEMBL 9)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translocator protein (SINGLE PROTEIN), Homo sapiens
UniProt: P30536
Assay: Binding affinity to human TSPO incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23.78 nM (pChEMBL 7.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Translocator protein (SINGLE PROTEIN), Homo sapiens
UniProt: P30536
Assay: Binding affinity to human TSPO incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23.78 nM (pChEMBL 7.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Thiosulfate sulfurtransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q16762
Assay: Binding affinity to human TST incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 39.84 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32