Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50433768'   

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))	BDBM50433768 (CHEMBL2381602) Show SMILES N[C@H]1CC[C@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,1.0,(10.68,-10.98,;12.01,-11.75,;13.35,-10.99,;14.68,-11.75,;14.69,-13.3,;13.35,-14.07,;12.02,-13.29,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.05,-18.44,;23.59,-18.44,;24.35,-17.1,;25.89,-17.09,;23.57,-15.76,;22.03,-15.78,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14+	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair