Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50212514'   

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))	BDBM50212514 (CHEMBL234654 | N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4...) Show SMILES O[C@H]1CC[C@@H](CC1)NCC(=O)Nc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(-6.95,-26.22,;-6.96,-27.76,;-8.3,-28.52,;-8.3,-30.07,;-6.97,-30.84,;-5.63,-30.07,;-5.63,-28.54,;-6.97,-32.38,;-5.64,-33.15,;-4.3,-32.38,;-4.3,-30.84,;-2.97,-33.15,;-1.64,-32.38,;-1.64,-30.84,;-.31,-30.07,;1.03,-30.83,;1.03,-32.38,;2.5,-32.86,;3.42,-31.61,;4.9,-31.13,;4.9,-29.57,;3.42,-29.09,;2.5,-30.35,;6.14,-32.04,;5.98,-33.57,;7.22,-34.47,;8.63,-33.85,;8.79,-32.31,;7.54,-31.41,;9.87,-34.75,;9.71,-36.28,;10.95,-37.19,;12.36,-36.56,;13.61,-37.46,;12.52,-35.02,;11.27,-34.12,;-.3,-33.15,)| Show InChI InChI=1S/C30H30N4O3/c35-24-10-5-19(6-11-24)18-1-3-20(4-2-18)29-27-16-21-15-23(9-14-26(21)30(27)34-33-29)32-28(37)17-31-22-7-12-25(36)13-8-22/h1-6,9-11,14-15,22,25,31,35-36H,7-8,12-13,16-17H2,(H,32,37)(H,33,34)/t22-,25-	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair