Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204729'   

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))	BDBM50204729 (CHEMBL397233 | [3-(4-fluoro-phenyl)-1,4-dihydro-in...) Show SMILES C[C@H]1CC[C@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(F)cc2)c1 |wU:4.7,1.0,(-10,-1.04,;-8.66,-.28,;-8.65,1.26,;-7.32,2.02,;-5.99,1.24,;-5.99,-.29,;-7.33,-1.06,;-4.65,2.01,;-3.32,1.24,;-1.99,2.01,;-1.98,3.55,;-.66,4.32,;.68,3.56,;.68,2.01,;2.15,1.53,;3.07,2.78,;4.55,3.26,;4.55,4.81,;3.07,5.3,;2.15,4.04,;5.79,2.36,;5.62,.82,;6.86,-.08,;8.27,.54,;9.52,-.36,;8.43,2.08,;7.19,2.98,;-.65,1.24,)| Show InChI InChI=1S/C24H26FN3/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-7-19(25)8-6-17/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)/t15-,20+	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	459	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair