Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk2' and Ligand = 'BDBM50335656'   

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))	BDBM50335656 ((S)-4-fluoro-2-(4-(pyrrolidin-3-ylamino)quinazolin...) Show SMILES Oc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 |r| Show InChI InChI=1S/C18H17FN4O/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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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