Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50433764'   

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))	BDBM50433764 (CHEMBL2381607) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c2nc(cn12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(27.43,-20.12,;26.1,-19.35,;26.1,-17.81,;24.76,-17.03,;23.44,-17.81,;23.43,-19.35,;24.76,-20.12,;22.11,-17.04,;22.1,-15.5,;20.77,-14.73,;20.77,-13.19,;22.1,-12.42,;22.1,-10.88,;23.43,-10.1,;20.76,-10.11,;23.44,-13.18,;24.9,-12.7,;25.81,-13.94,;24.91,-15.19,;23.44,-14.72,;27.35,-13.93,;28.13,-15.26,;29.67,-15.25,;30.43,-13.91,;31.97,-13.9,;29.64,-12.58,;28.11,-12.59,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)16-10-26-18(25-16)15(17(22)27)9-23-19(26)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	5.00E+4	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