Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50212490'   

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))	BDBM50212490 (3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-4,4-dimethy...) Show SMILES COc1cc-2c(cc1C(=O)N[C@H]1CC[C@H](O)CC1)C(C)(C)c1c(n[nH]c-21)-c1ccc(cc1)-c1ccc(O)cc1 |wU:11.11,wD:14.15,(-3.5,5.22,;-3.5,3.68,;-2.16,2.91,;-.84,3.68,;.5,2.91,;.5,1.36,;-.83,.59,;-2.17,1.36,;-3.5,.6,;-3.5,-.94,;-4.83,1.37,;-6.17,.6,;-6.17,-.94,;-7.51,-1.7,;-8.84,-.93,;-10.18,-1.69,;-8.84,.61,;-7.51,1.37,;1.97,.89,;3.45,.49,;1.11,-.39,;2.88,2.14,;4.36,2.62,;4.36,4.17,;2.89,4.65,;1.97,3.39,;5.6,1.72,;5.43,.19,;6.67,-.72,;8.08,-.1,;8.24,1.44,;7,2.34,;9.33,-1,;9.16,-2.53,;10.41,-3.43,;11.82,-2.81,;13.06,-3.71,;11.97,-1.27,;10.73,-.37,)| Show InChI InChI=1S/C32H33N3O4/c1-32(2)26-16-25(31(38)33-21-10-14-23(37)15-11-21)27(39-3)17-24(26)30-28(32)29(34-35-30)20-6-4-18(5-7-20)19-8-12-22(36)13-9-19/h4-9,12-13,16-17,21,23,36-37H,10-11,14-15H2,1-3H3,(H,33,38)(H,34,35)/t21-,23-	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
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