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: Golgi integral membrane protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00461
Assay: Binding affinity to human GOLIM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2710.81 nM (pChEMBL 5.570000171661377)
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: Golgi integral membrane protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00461
Assay: Binding affinity to human GOLIM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2710.81 nM (pChEMBL 5.570000171661377)
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: Vesicle transport protein GOT1B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3E0
Assay: Binding affinity to human GOLT1B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 96.96 nM (pChEMBL 7.010000228881836)
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: Vesicle transport protein GOT1B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3E0
Assay: Binding affinity to human GOLT1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 96.96 nM (pChEMBL 7.010000228881836)
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: Aspartate aminotransferase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P17174
Assay: Binding affinity to human GOT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 841.98 nM (pChEMBL 6.079999923706055)
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: Aspartate aminotransferase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P17174
Assay: Binding affinity to human GOT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 841.98 nM (pChEMBL 6.079999923706055)
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: Aspartate aminotransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P00505
Assay: Binding affinity to human GOT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13150.89 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: Aspartate aminotransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P00505
Assay: Binding affinity to human GOT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13150.89 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: GPI-anchor transamidase component GPAA1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43292
Assay: Binding affinity to human GPAA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 841.27 nM (pChEMBL 6.079999923706055)
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: GPI-anchor transamidase component GPAA1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43292
Assay: Binding affinity to human GPAA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 841.27 nM (pChEMBL 6.079999923706055)
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: Glucose-6-phosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P06744
Assay: Binding affinity to human GPI incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 36536515.17 nM (pChEMBL 1.440000057220459)
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: G-patch domain and KOW motifs-containing protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q92917
Assay: Binding affinity to human GPKOW incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10739.89 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: G-patch domain and KOW motifs-containing protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q92917
Assay: Binding affinity to human GPKOW incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10739.89 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: Integral membrane protein GPR180 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V85
Assay: Binding affinity to human GPR180 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 284.49 nM (pChEMBL 6.550000190734863)
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: Integral membrane protein GPR180 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V85
Assay: Binding affinity to human GPR180 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 317.43 nM (pChEMBL 6.5)
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: COP9 signalosome complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13098
Assay: Binding affinity to human GPS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 201000.9 nM (pChEMBL 3.700000047683716)
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 Aster-A (SINGLE PROTEIN), Homo sapiens
UniProt: Q96CP6
Assay: Binding affinity to human GRAMD1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 421.54 nM (pChEMBL 6.380000114440918)
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: Protein Aster-A (SINGLE PROTEIN), Homo sapiens
UniProt: Q96CP6
Assay: Binding affinity to human GRAMD1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 494.91 nM (pChEMBL 6.300000190734863)
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: Growth factor receptor-bound protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P62993
Assay: Binding affinity to human GRB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 512.26 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: Growth factor receptor-bound protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P62993
Assay: Binding affinity to human GRB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 821.25 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: Glyoxylate reductase/hydroxypyruvate reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBQ7
Assay: Binding affinity to human GRHPR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 69098.96 nM (pChEMBL 4.159999847412109)
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: Glyoxylate reductase/hydroxypyruvate reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBQ7
Assay: Binding affinity to human GRHPR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 69098.96 nM (pChEMBL 4.159999847412109)
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: G protein-coupled receptor kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P43250
Assay: Binding affinity to human GRK6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2425.84 nM (pChEMBL 5.619999885559082)
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: G protein-coupled receptor kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P43250
Assay: Binding affinity to human GRK6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2425.84 nM (pChEMBL 5.619999885559082)
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: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: Binding affinity to human GSK3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 44.24 nM (pChEMBL 7.349999904632568)
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: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: Binding affinity to human GSK3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 88.45 nM (pChEMBL 7.050000190734863)
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: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Binding affinity to human GSK3B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.241 nM (pChEMBL 8.079999923706055)
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: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: Binding affinity to human GSK3B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.72 nM (pChEMBL 7.75)
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: GSK3B-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0R6
Assay: Binding affinity to human GSKIP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1515.36 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: GSK3B-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0R6
Assay: Binding affinity to human GSKIP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1809.62 nM (pChEMBL 5.739999771118164)
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: Glutathione reductase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P00390
Assay: Binding affinity to human GSR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24677.29 nM (pChEMBL 4.610000133514404)
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: Glutathione reductase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P00390
Assay: Binding affinity to human GSR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24677.29 nM (pChEMBL 4.610000133514404)
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: Glutathione synthetase (SINGLE PROTEIN), Homo sapiens
UniProt: P48637
Assay: Binding affinity to human GSS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12102.18 nM (pChEMBL 4.920000076293945)
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: Glutathione synthetase (SINGLE PROTEIN), Homo sapiens
UniProt: P48637
Assay: Binding affinity to human GSS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12102.18 nM (pChEMBL 4.920000076293945)
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: Glutathione S-transferase omega-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P78417
Assay: Binding affinity to human GSTO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 94.47 nM (pChEMBL 7.03000020980835)
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: Glutathione S-transferase omega-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P78417
Assay: Binding affinity to human GSTO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 94.47 nM (pChEMBL 7.03000020980835)
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: Glutathione S-transferase P (SINGLE PROTEIN), Homo sapiens
UniProt: P09211
Assay: Binding affinity to human GSTP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58734.59 nM (pChEMBL 4.230000019073486)
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: Glutathione S-transferase P (SINGLE PROTEIN), Homo sapiens
UniProt: P09211
Assay: Binding affinity to human GSTP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 58734.59 nM (pChEMBL 4.230000019073486)
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: Transcription initiation factor IIE subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P29084
Assay: Binding affinity to human GTF2E2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 615.29 nM (pChEMBL 6.210000038146973)
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 initiation factor IIE subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P29084
Assay: Binding affinity to human GTF2E2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 676.24 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: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Binding affinity to human BTK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5748.93 nM (pChEMBL 5.239999771118164)
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: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Binding affinity to human BTK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2247.15 nM (pChEMBL 5.650000095367432)
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: Calcium/calmodulin-dependent protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RR4
Assay: Binding affinity to human CAMKK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6745.71 nM (pChEMBL 5.170000076293945)
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: Calcium/calmodulin-dependent protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RR4
Assay: Binding affinity to human CAMKK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10153.89 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: General transcription factor II-I (SINGLE PROTEIN), Homo sapiens
UniProt: P78347
Assay: Binding affinity to human GTF2I incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 94.5 nM (pChEMBL 7.03000020980835)
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: General transcription factor II-I (SINGLE PROTEIN), Homo sapiens
UniProt: P78347
Assay: Binding affinity to human GTF2I incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 94.5 nM (pChEMBL 7.03000020980835)
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: General transcription factor 3C polypeptide 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WUA4
Assay: Binding affinity to human GTF3C2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13.89 nM (pChEMBL 7.860000133514404)
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: General transcription factor 3C polypeptide 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WUA4
Assay: Binding affinity to human GTF3C2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.89 nM (pChEMBL 7.860000133514404)
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: General transcription factor 3C polypeptide 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Q9
Assay: Binding affinity to human GTF3C3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 962.95 nM (pChEMBL 6.019999980926514)
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: General transcription factor 3C polypeptide 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Q9
Assay: Binding affinity to human GTF3C3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 962.95 nM (pChEMBL 6.019999980926514)
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: General transcription factor 3C polypeptide 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Q8
Assay: Binding affinity to human GTF3C5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 166570.14 nM (pChEMBL 3.7799999713897705)
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: GTP-binding protein 10 (SINGLE PROTEIN), Homo sapiens
UniProt: A4D1E9
Assay: Binding affinity to human GTPBP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58.31 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: GTP-binding protein 10 (SINGLE PROTEIN), Homo sapiens
UniProt: A4D1E9
Assay: Binding affinity to human GTPBP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 63.95 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: GTP-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZE4
Assay: Binding affinity to human GTPBP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 592.59 nM (pChEMBL 6.230000019073486)
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: GTP-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZE4
Assay: Binding affinity to human GTPBP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 592.59 nM (pChEMBL 6.230000019073486)
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: Histone H1.0 (SINGLE PROTEIN), Homo sapiens
UniProt: P07305
Assay: Binding affinity to human H1F0 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1288.76 nM (pChEMBL 5.889999866485596)
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: Histone H1.0 (SINGLE PROTEIN), Homo sapiens
UniProt: P07305
Assay: Binding affinity to human H1F0 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1288.76 nM (pChEMBL 5.889999866485596)
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: Histone H1.10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92522
Assay: Binding affinity to human H1FX incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.72 nM (pChEMBL 7.78000020980835)
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: Histone H1.10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92522
Assay: Binding affinity to human H1FX incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.72 nM (pChEMBL 7.78000020980835)
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: Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P035
Assay: Binding affinity to human HACD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.3 nM (pChEMBL 7.760000228881836)
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: Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P035
Assay: Binding affinity to human HACD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.3 nM (pChEMBL 7.760000228881836)
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: Trifunctional enzyme subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P40939
Assay: Binding affinity to human HADHA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 59.46 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: Trifunctional enzyme subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P40939
Assay: Binding affinity to human HADHA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 59.46 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: Trifunctional enzyme subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P55084
Assay: Binding affinity to human HADHB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.346 nM (pChEMBL 8.029999732971191)
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: Trifunctional enzyme subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P55084
Assay: Binding affinity to human HADHB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.346 nM (pChEMBL 8.029999732971191)
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: Histidine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P12081
Assay: Binding affinity to human HARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 46390.26 nM (pChEMBL 4.329999923706055)
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: Histidine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P12081
Assay: Binding affinity to human HARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 46390.26 nM (pChEMBL 4.329999923706055)
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: Histone acetyltransferase type B catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O14929
Assay: Binding affinity to human HAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.65 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: Histone acetyltransferase type B catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O14929
Assay: Binding affinity to human HAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.65 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: HCLS1-associated protein X-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00165
Assay: Binding affinity to human HAX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 339696.8 nM (pChEMBL 3.4700000286102295)
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: Hemoglobin subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P69891
Assay: Binding affinity to human HBG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 330.13 nM (pChEMBL 6.480000019073486)
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: Hemoglobin subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P69891
Assay: Binding affinity to human HBG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 330.13 nM (pChEMBL 6.480000019073486)
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: Hemoglobin subunit gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P69892
Assay: Binding affinity to human HBG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1856.4 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: Hemoglobin subunit gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P69892
Assay: Binding affinity to human HBG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2660.4 nM (pChEMBL 5.579999923706055)
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: HBS1-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y450
Assay: Binding affinity to human HBS1L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 42.69 nM (pChEMBL 7.369999885559082)
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: HBS1-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y450
Assay: Binding affinity to human HBS1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 46.05 nM (pChEMBL 7.340000152587891)
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: Hemoglobin subunit zeta (SINGLE PROTEIN), Homo sapiens
UniProt: P02008
Assay: Binding affinity to human HBZ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 522.06 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: Hemoglobin subunit zeta (SINGLE PROTEIN), Homo sapiens
UniProt: P02008
Assay: Binding affinity to human HBZ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 522.06 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: Holocytochrome c-type synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P53701
Assay: Binding affinity to human HCCS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 143.71 nM (pChEMBL 6.840000152587891)
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: Holocytochrome c-type synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P53701
Assay: Binding affinity to human HCCS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 143.71 nM (pChEMBL 6.840000152587891)
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: Host cell factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51610
Assay: Binding affinity to human HCFC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.29 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: Host cell factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51610
Assay: Binding affinity to human HCFC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.29 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: Tyrosine-protein kinase HCK (SINGLE PROTEIN), Homo sapiens
UniProt: P08631
Assay: Binding affinity to human HCK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 28.8 nM (pChEMBL 7.539999961853027)
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: Tyrosine-protein kinase HCK (SINGLE PROTEIN), Homo sapiens
UniProt: P08631
Assay: Binding affinity to human HCK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.55 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: Hematopoietic lineage cell-specific protein (SINGLE PROTEIN), Homo sapiens
UniProt: P14317
Assay: Binding affinity to human HCLS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3210203.66 nM (pChEMBL 2.490000009536743)
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: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Binding affinity to human HDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1166.32 nM (pChEMBL 5.929999828338623)
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: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Binding affinity to human HDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1166.32 nM (pChEMBL 5.929999828338623)
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: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Binding affinity to human HDAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 88.14 nM (pChEMBL 7.050000190734863)
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: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Binding affinity to human HDAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 88.14 nM (pChEMBL 7.050000190734863)
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: Protein deacetylase HDAC6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBN7
Assay: Binding affinity to human HDAC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2963.89 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: Protein deacetylase HDAC6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBN7
Assay: Binding affinity to human HDAC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2963.89 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: Hepatoma-derived growth factor (SINGLE PROTEIN), Homo sapiens
UniProt: P51858
Assay: Binding affinity to human HDGF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12417.8 nM (pChEMBL 4.909999847412109)
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: Hepatoma-derived growth factor (SINGLE PROTEIN), Homo sapiens
UniProt: P51858
Assay: Binding affinity to human HDGF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12417.8 nM (pChEMBL 4.909999847412109)
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: Vigilin (SINGLE PROTEIN), Homo sapiens
UniProt: Q00341
Assay: Binding affinity to human HDLBP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19167.7 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: Vigilin (SINGLE PROTEIN), Homo sapiens
UniProt: Q00341
Assay: Binding affinity to human HDLBP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19167.7 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: HEAT repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H583
Assay: Binding affinity to human HEATR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3531.07 nM (pChEMBL 5.449999809265137)
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 repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H583
Assay: Binding affinity to human HEATR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3531.07 nM (pChEMBL 5.449999809265137)
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 repeat-containing protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6AI08
Assay: Binding affinity to human HEATR6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 90.2 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: HEAT repeat-containing protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6AI08
Assay: Binding affinity to human HEATR6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 90.2 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: Beta-hexosaminidase subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P07686
Assay: Binding affinity to human HEXB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 54.7 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: Beta-hexosaminidase subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P07686
Assay: Binding affinity to human HEXB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57.12 nM (pChEMBL 7.239999771118164)
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: HIG1 domain family member 1A, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y241
Assay: Binding affinity to human HIGD1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 514.2 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: HIG1 domain family member 1A, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y241
Assay: Binding affinity to human HIGD1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 631.43 nM (pChEMBL 6.199999809265137)
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: Adenosine 5'-monophosphoramidase HINT1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49773
Assay: Binding affinity to human HINT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 317.81 nM (pChEMBL 6.5)
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: Adenosine 5'-monophosphoramidase HINT1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49773
Assay: Binding affinity to human HINT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 317.81 nM (pChEMBL 6.5)
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: Histone H1.5 (SINGLE PROTEIN), Homo sapiens
UniProt: P16401
Assay: Binding affinity to human HIST1H1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1003081.09 nM (pChEMBL 3)
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: Histone H1.2 (SINGLE PROTEIN), Homo sapiens
UniProt: P16403
Assay: Binding affinity to human HIST1H1C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.942 nM (pChEMBL 8.050000190734863)
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: Histone H1.2 (SINGLE PROTEIN), Homo sapiens
UniProt: P16403
Assay: Binding affinity to human HIST1H1C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.942 nM (pChEMBL 8.050000190734863)
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: Histone H1.4 (SINGLE PROTEIN), Homo sapiens
UniProt: P10412
Assay: Binding affinity to human HIST1H1E incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5188.01 nM (pChEMBL 5.289999961853027)
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: Histone H1.4 (SINGLE PROTEIN), Homo sapiens
UniProt: P10412
Assay: Binding affinity to human HIST1H1E incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5188.01 nM (pChEMBL 5.289999961853027)
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: Histone H4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62805
Assay: Binding affinity to human HIST1H4A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.891 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: Histone H4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62805
Assay: Binding affinity to human HIST1H4A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.891 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: Hexokinase-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P19367
Assay: Binding affinity to human HK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 173406.32 nM (pChEMBL 3.759999990463257)
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: Hexokinase HKDC1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q2TB90
Assay: Binding affinity to human HKDC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4824.83 nM (pChEMBL 5.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32