Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50335679'   

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))	BDBM50335679 ((S)-2-(6-methoxy-7-(2-methoxyethoxy)-4-(pyrrolidin...) Show SMILES COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O |r| Show InChI InChI=1S/C22H26N4O4/c1-28-9-10-30-20-12-17-16(11-19(20)29-2)22(24-14-7-8-23-13-14)26-21(25-17)15-5-3-4-6-18(15)27/h3-6,11-12,14,23,27H,7-10,13H2,1-2H3,(H,24,25,26)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 by DELFIA assay				J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX
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