Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk2' and Ligand = 'BDBM50335685'   

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 Chk2 (Homo sapiens (Human))	BDBM50335685 (4-fluoro-2-(4-((3S,4R)-4-(hydroxymethyl)pyrrolidin...) Show SMILES COc1cc2nc(nc(N[C@@H]3CNC[C@H]3CO)c2cc1OC)-c1cc(F)ccc1O |r| Show InChI InChI=1S/C21H23FN4O4/c1-29-18-6-13-15(7-19(18)30-2)24-21(14-5-12(22)3-4-17(14)28)26-20(13)25-16-9-23-8-11(16)10-27/h3-7,11,16,23,27-28H,8-10H2,1-2H3,(H,24,25,26)/t11-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK2 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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