Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204713'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204713 (CHEMBL390627 | N-(2-hydroxyethyl)-4-(6-(((1r,4r)-4...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)S(=O)(=O)NCCO)c1 |wU:4.7,wD:1.0,(16.56,-3.78,;17.89,-3.01,;19.22,-3.78,;20.56,-3.02,;20.57,-1.49,;19.22,-.72,;17.9,-1.48,;21.9,-.72,;23.23,-1.49,;24.56,-.72,;24.56,.82,;25.89,1.59,;27.23,.83,;27.23,-.73,;28.7,-1.2,;29.61,.04,;28.7,1.31,;29.61,2.56,;31.1,2.08,;31.09,.53,;32.33,-.38,;32.17,-1.91,;33.41,-2.82,;34.82,-2.19,;34.98,-.65,;33.73,.24,;36.06,-3.09,;35.16,-4.34,;36.97,-1.85,;37.3,-4,;38.71,-3.37,;39.95,-4.28,;41.36,-3.65,;25.89,-1.5,)| Show InChI InChI=1S/C26H32N4O3S/c1-17-2-7-21(8-3-17)27-16-18-4-11-23-20(14-18)15-24-25(29-30-26(23)24)19-5-9-22(10-6-19)34(32,33)28-12-13-31/h4-6,9-11,14,17,21,27-28,31H,2-3,7-8,12-13,15-16H2,1H3,(H,29,30)/t17-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
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