Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50192342'   

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))	BDBM50192342 (9-hydroxy-4-(2-(methylsulfinyl)phenyl)pyrrolo[3,4-...) Show SMILES CS(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H14N2O4S/c1-28(27)16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition at human Chk1 in presence of 4 uM ATP				J Med Chem 49: 4896-911 (2006) Article DOI: 10.1021/jm0512591 BindingDB Entry DOI: 10.7270/Q23778BD
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