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: Vesicle-trafficking protein SEC22b (SINGLE PROTEIN), Homo sapiens
UniProt: O75396
Assay: Binding affinity to human SEC22B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3321.29 nM (pChEMBL 5.480000019073486)
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: Vesicle-trafficking protein SEC22b (SINGLE PROTEIN), Homo sapiens
UniProt: O75396
Assay: Binding affinity to human SEC22B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3321.29 nM (pChEMBL 5.480000019073486)
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: Protein transport protein Sec23A (SINGLE PROTEIN), Homo sapiens
UniProt: Q15436
Assay: Binding affinity to human SEC23A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4905.16 nM (pChEMBL 5.309999942779541)
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: Protein transport protein Sec23A (SINGLE PROTEIN), Homo sapiens
UniProt: Q15436
Assay: Binding affinity to human SEC23A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4905.16 nM (pChEMBL 5.309999942779541)
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: Protein transport protein Sec23B (SINGLE PROTEIN), Homo sapiens
UniProt: Q15437
Assay: Binding affinity to human SEC23B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 39.67 nM (pChEMBL 7.400000095367432)
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: Protein transport protein Sec23B (SINGLE PROTEIN), Homo sapiens
UniProt: Q15437
Assay: Binding affinity to human SEC23B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 39.67 nM (pChEMBL 7.400000095367432)
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: SEC23-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6Y8
Assay: Binding affinity to human SEC23IP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 75.3 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: SEC23-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6Y8
Assay: Binding affinity to human SEC23IP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 75.3 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: Protein transport protein Sec24C (SINGLE PROTEIN), Homo sapiens
UniProt: P53992
Assay: Binding affinity to human SEC24C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1461.02 nM (pChEMBL 5.829999923706055)
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: Protein transport protein Sec24C (SINGLE PROTEIN), Homo sapiens
UniProt: P53992
Assay: Binding affinity to human SEC24C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1461.02 nM (pChEMBL 5.829999923706055)
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: Protein transport protein Sec61 subunit alpha isoform 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P61619
Assay: Binding affinity to human SEC61A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.78 nM (pChEMBL 7.289999961853027)
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: Protein transport protein Sec61 subunit alpha isoform 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P61619
Assay: Binding affinity to human SEC61A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.78 nM (pChEMBL 7.289999961853027)
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: Protein transport protein Sec61 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P60468
Assay: Binding affinity to human SEC61B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3000.78 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: Protein transport protein Sec61 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P60468
Assay: Binding affinity to human SEC61B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3000.78 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: Protein transport protein Sec61 subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P60059
Assay: Binding affinity to human SEC61G incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3174.22 nM (pChEMBL 5.5)
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: Protein transport protein Sec61 subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P60059
Assay: Binding affinity to human SEC61G incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3174.22 nM (pChEMBL 5.5)
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: Translocation protein SEC62 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99442
Assay: Binding affinity to human SEC62 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7485.6 nM (pChEMBL 5.130000114440918)
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: Translocation protein SEC62 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99442
Assay: Binding affinity to human SEC62 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7485.6 nM (pChEMBL 5.130000114440918)
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: Translocation protein SEC63 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGP8
Assay: Binding affinity to human SEC63 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 34.38 nM (pChEMBL 7.460000038146973)
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: Translocation protein SEC63 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGP8
Assay: Binding affinity to human SEC63 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 34.38 nM (pChEMBL 7.460000038146973)
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: Septin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15019
Assay: Binding affinity to human Sep2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 40308.72 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: Septin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15019
Assay: Binding affinity to human Sep2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 40308.72 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: Septin-6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14141
Assay: Binding affinity to human Sep6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 519569.78 nM (pChEMBL 3.2799999713897705)
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: Septin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16181
Assay: Binding affinity to human Sep7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3212.34 nM (pChEMBL 5.489999771118164)
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: Septin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16181
Assay: Binding affinity to human Sep7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3212.34 nM (pChEMBL 5.489999771118164)
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: Septin-8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92599
Assay: Binding affinity to human Sep8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35041.04 nM (pChEMBL 4.460000038146973)
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: Septin-8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92599
Assay: Binding affinity to human Sep8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 62905.51 nM (pChEMBL 4.199999809265137)
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: Septin-9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHD8
Assay: Binding affinity to human Sep9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 108.97 nM (pChEMBL 6.960000038146973)
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: Septin-9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHD8
Assay: Binding affinity to human Sep9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 108.97 nM (pChEMBL 6.960000038146973)
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: SERPINE1 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NC51
Assay: Binding affinity to human SERBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11013.33 nM (pChEMBL 4.960000038146973)
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: SERPINE1 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NC51
Assay: Binding affinity to human SERBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11013.33 nM (pChEMBL 4.960000038146973)
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: Leukocyte elastase inhibitor (SINGLE PROTEIN), Homo sapiens
UniProt: P30740
Assay: Binding affinity to human SERPINB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.13 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: Leukocyte elastase inhibitor (SINGLE PROTEIN), Homo sapiens
UniProt: P30740
Assay: Binding affinity to human SERPINB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.13 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: Serpin B6 (SINGLE PROTEIN), Homo sapiens
UniProt: P35237
Assay: Binding affinity to human SERPINB6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55.14 nM (pChEMBL 7.260000228881836)
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: Serpin B6 (SINGLE PROTEIN), Homo sapiens
UniProt: P35237
Assay: Binding affinity to human SERPINB6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.14 nM (pChEMBL 7.260000228881836)
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: Splicing factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15637
Assay: Binding affinity to human SF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 81.17 nM (pChEMBL 7.090000152587891)
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: Splicing factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15637
Assay: Binding affinity to human SF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 81.17 nM (pChEMBL 7.090000152587891)
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: Splicing factor 3A subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15459
Assay: Binding affinity to human SF3A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.84 nM (pChEMBL 7.570000171661377)
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: Splicing factor 3A subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15459
Assay: Binding affinity to human SF3A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.84 nM (pChEMBL 7.570000171661377)
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: Splicing factor 3A subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15428
Assay: Binding affinity to human SF3A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 64488.15 nM (pChEMBL 4.190000057220459)
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: Splicing factor 3A subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15428
Assay: Binding affinity to human SF3A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 64488.15 nM (pChEMBL 4.190000057220459)
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: Splicing factor 3A subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12874
Assay: Binding affinity to human SF3A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.697 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: Splicing factor 3A subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12874
Assay: Binding affinity to human SF3A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.697 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: Splicing factor 3B subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75533
Assay: Binding affinity to human SF3B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3000.8 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: Splicing factor 3B subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75533
Assay: Binding affinity to human SF3B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3000.8 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: Splicing factor 3B subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15393
Assay: Binding affinity to human SF3B3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6083.92 nM (pChEMBL 5.21999979019165)
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: Splicing factor 3B subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15393
Assay: Binding affinity to human SF3B3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6083.92 nM (pChEMBL 5.21999979019165)
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: Splicing factor 3B subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BWJ5
Assay: Binding affinity to human SF3B5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 34168.45 nM (pChEMBL 4.46999979019165)
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: Splicing factor 3B subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BWJ5
Assay: Binding affinity to human SF3B5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 34168.45 nM (pChEMBL 4.46999979019165)
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: Splicing factor, proline- and glutamine-rich (SINGLE PROTEIN), Homo sapiens
UniProt: P23246
Assay: Binding affinity to human SFPQ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15036.71 nM (pChEMBL 4.820000171661377)
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: Splicing factor, proline- and glutamine-rich (SINGLE PROTEIN), Homo sapiens
UniProt: P23246
Assay: Binding affinity to human SFPQ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15036.71 nM (pChEMBL 4.820000171661377)
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: Sideroflexin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H9B4
Assay: Binding affinity to human SFXN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12.02 nM (pChEMBL 7.920000076293945)
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: Sideroflexin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H9B4
Assay: Binding affinity to human SFXN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12.02 nM (pChEMBL 7.920000076293945)
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: Sideroflexin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BWM7
Assay: Binding affinity to human SFXN3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1359.58 nM (pChEMBL 5.869999885559082)
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: Sideroflexin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BWM7
Assay: Binding affinity to human SFXN3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1359.58 nM (pChEMBL 5.869999885559082)
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: Small glutamine-rich tetratricopeptide repeat-containing protein alpha (SINGLE PROTEIN), Homo sapiens
UniProt: O43765
Assay: Binding affinity to human SGTA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 226327.9 nM (pChEMBL 3.6500000953674316)
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: Serine hydroxymethyltransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P34897
Assay: Binding affinity to human SHMT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 345.44 nM (pChEMBL 6.460000038146973)
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: Serine hydroxymethyltransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P34897
Assay: Binding affinity to human SHMT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 345.44 nM (pChEMBL 6.460000038146973)
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: Protein Shroom3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TF72
Assay: Binding affinity to human SHROOM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 457.21 nM (pChEMBL 6.340000152587891)
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: Protein Shroom3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TF72
Assay: Binding affinity to human SHROOM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 457.21 nM (pChEMBL 6.340000152587891)
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 non-opioid intracellular receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99720
Assay: Binding affinity to human SIGMAR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 607.83 nM (pChEMBL 6.21999979019165)
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 non-opioid intracellular receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99720
Assay: Binding affinity to human SIGMAR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 607.83 nM (pChEMBL 6.21999979019165)
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: Serine/threonine-protein kinase SIK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0K1
Assay: Binding affinity to human SIK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4239.15 nM (pChEMBL 5.369999885559082)
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: Serine/threonine-protein kinase SIK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0K1
Assay: Binding affinity to human SIK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8179.66 nM (pChEMBL 5.090000152587891)
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: Serine/threonine-protein kinase SIK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2K2
Assay: Binding affinity to human SIK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8489.54 nM (pChEMBL 5.070000171661377)
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: Serine/threonine-protein kinase SIK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2K2
Assay: Binding affinity to human SIK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10370.7 nM (pChEMBL 4.980000019073486)
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: Exosome RNA helicase MTR4 (SINGLE PROTEIN), Homo sapiens
UniProt: P42285
Assay: Binding affinity to human SKIV2L2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4331948.34 nM (pChEMBL 2.359999895095825)
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: S-phase kinase-associated protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13309
Assay: Binding affinity to human SKP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.37 nM (pChEMBL 8.619999885559082)
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: S-phase kinase-associated protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13309
Assay: Binding affinity to human SKP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.609 nM (pChEMBL 8.579999923706055)
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: Solute carrier family 12 member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P55011
Assay: Binding affinity to human SLC12A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2842.53 nM (pChEMBL 5.550000190734863)
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: Solute carrier family 12 member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P55011
Assay: Binding affinity to human SLC12A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2842.53 nM (pChEMBL 5.550000190734863)
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: Monocarboxylate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53985
Assay: Binding affinity to human SLC16A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2977.05 nM (pChEMBL 5.53000020980835)
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: Monocarboxylate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53985
Assay: Binding affinity to human SLC16A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2977.05 nM (pChEMBL 5.53000020980835)
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: Monocarboxylate transporter 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O15427
Assay: Binding affinity to human SLC16A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2739.95 nM (pChEMBL 5.559999942779541)
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: Monocarboxylate transporter 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O15427
Assay: Binding affinity to human SLC16A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2739.95 nM (pChEMBL 5.559999942779541)
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: Neutral amino acid transporter B(0) (SINGLE PROTEIN), Homo sapiens
UniProt: Q15758
Assay: Binding affinity to human SLC1A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32.05 nM (pChEMBL 7.489999771118164)
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: Neutral amino acid transporter B(0) (SINGLE PROTEIN), Homo sapiens
UniProt: Q15758
Assay: Binding affinity to human SLC1A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32.05 nM (pChEMBL 7.489999771118164)
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: Solute carrier family 22 member 18 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96BI1
Assay: Binding affinity to human SLC22A18 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13137.43 nM (pChEMBL 4.880000114440918)
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: Solute carrier family 22 member 18 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96BI1
Assay: Binding affinity to human SLC22A18 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13964 nM (pChEMBL 4.860000133514404)
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: Tricarboxylate transport protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P53007
Assay: Binding affinity to human SLC25A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4785.14 nM (pChEMBL 5.320000171661377)
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: Tricarboxylate transport protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P53007
Assay: Binding affinity to human SLC25A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4785.14 nM (pChEMBL 5.320000171661377)
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: Mitochondrial 2-oxoglutarate/malate carrier protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q02978
Assay: Binding affinity to human SLC25A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.986 nM (pChEMBL 8.699999809265137)
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: Mitochondrial 2-oxoglutarate/malate carrier protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q02978
Assay: Binding affinity to human SLC25A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.986 nM (pChEMBL 8.699999809265137)
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: Peroxisomal membrane protein PMP34 (SINGLE PROTEIN), Homo sapiens
UniProt: O43808
Assay: Binding affinity to human SLC25A17 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.627 nM (pChEMBL 8.4399995803833)
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: Peroxisomal membrane protein PMP34 (SINGLE PROTEIN), Homo sapiens
UniProt: O43808
Assay: Binding affinity to human SLC25A17 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.175 nM (pChEMBL 8.289999961853027)
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: Solute carrier family 25 member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00325
Assay: Binding affinity to human SLC25A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8084.42 nM (pChEMBL 5.090000152587891)
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: Solute carrier family 25 member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00325
Assay: Binding affinity to human SLC25A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8084.42 nM (pChEMBL 5.090000152587891)
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: ADP/ATP translocase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P12235
Assay: Binding affinity to human SLC25A4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 107044.96 nM (pChEMBL 3.9700000286102295)
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: ADP/ATP translocase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05141
Assay: Binding affinity to human SLC25A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 186.11 nM (pChEMBL 6.730000019073486)
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: ADP/ATP translocase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05141
Assay: Binding affinity to human SLC25A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 186.11 nM (pChEMBL 6.730000019073486)
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: ADP/ATP translocase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12236
Assay: Binding affinity to human SLC25A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 121.87 nM (pChEMBL 6.909999847412109)
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: ADP/ATP translocase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12236
Assay: Binding affinity to human SLC25A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 121.87 nM (pChEMBL 6.909999847412109)
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: Proton-coupled zinc antiporter SLC30A5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TAD4
Assay: Binding affinity to human SLC30A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 108.92 nM (pChEMBL 6.960000038146973)
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: Proton-coupled zinc antiporter SLC30A5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TAD4
Assay: Binding affinity to human SLC30A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 112.22 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: Zinc transporter 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6NXT4
Assay: Binding affinity to human SLC30A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 209.3 nM (pChEMBL 6.679999828338623)
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: Zinc transporter 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6NXT4
Assay: Binding affinity to human SLC30A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 209.3 nM (pChEMBL 6.679999828338623)
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: Zinc transporter 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NEW0
Assay: Binding affinity to human SLC30A7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.032 nM (pChEMBL 8.6899995803833)
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: Zinc transporter 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NEW0
Assay: Binding affinity to human SLC30A7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.032 nM (pChEMBL 8.6899995803833)
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: Acetyl-coenzyme A transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00400
Assay: Binding affinity to human SLC33A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1520.46 nM (pChEMBL 5.820000171661377)
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: Acetyl-coenzyme A transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00400
Assay: Binding affinity to human SLC33A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1520.46 nM (pChEMBL 5.820000171661377)
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: CMP-sialic acid transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P78382
Assay: Binding affinity to human SLC35A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4018.44 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: CMP-sialic acid transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P78382
Assay: Binding affinity to human SLC35A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4018.44 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: Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TB61
Assay: Binding affinity to human SLC35B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 39187.91 nM (pChEMBL 4.409999847412109)
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: Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TB61
Assay: Binding affinity to human SLC35B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 39187.91 nM (pChEMBL 4.409999847412109)
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: Solute carrier family 35 member E1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96K37
Assay: Binding affinity to human SLC35E1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55281.07 nM (pChEMBL 4.260000228881836)
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: Solute carrier family 35 member E1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96K37
Assay: Binding affinity to human SLC35E1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55281.07 nM (pChEMBL 4.260000228881836)
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: Glucose-6-phosphate exchanger SLC37A4 (SINGLE PROTEIN), Homo sapiens
UniProt: O43826
Assay: Binding affinity to human SLC37A4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 514.8 nM (pChEMBL 6.289999961853027)
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: Glucose-6-phosphate exchanger SLC37A4 (SINGLE PROTEIN), Homo sapiens
UniProt: O43826
Assay: Binding affinity to human SLC37A4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 514.8 nM (pChEMBL 6.289999961853027)
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: Sodium-coupled neutral amino acid transporter 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVC3
Assay: Binding affinity to human SLC38A7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1506.41 nM (pChEMBL 5.820000171661377)
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: Sodium-coupled neutral amino acid transporter 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVC3
Assay: Binding affinity to human SLC38A7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1506.41 nM (pChEMBL 5.820000171661377)
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: Zinc transporter ZIP11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N1S5
Assay: Binding affinity to human SLC39A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1697.77 nM (pChEMBL 5.769999980926514)
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: Zinc transporter ZIP11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N1S5
Assay: Binding affinity to human SLC39A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1706.83 nM (pChEMBL 5.769999980926514)
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: Metal cation symporter ZIP14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15043
Assay: Binding affinity to human SLC39A14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3031.05 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: Metal cation symporter ZIP14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15043
Assay: Binding affinity to human SLC39A14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3031.05 nM (pChEMBL 5.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32