Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50277025'   

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))	BDBM50277025 (CHEMBL518175 | N-cyclohexyl-2-(4-oxo-3-phenyl-3,4-...) Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C26H31N3O2S/c1-2-3-18-23(24(30)27-19-12-6-4-7-13-19)32-26-28-22-17-11-10-16-21(22)25(31)29(26)20-14-8-5-9-15-20/h5,8-11,14-17,19,23H,2-4,6-7,12-13,18H2,1H3,(H,27,30)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP				Bioorg Med Chem Lett 19: 1240-4 (2009) Article DOI: 10.1016/j.bmcl.2008.12.076 BindingDB Entry DOI: 10.7270/Q2S75G53
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