Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50245733'   

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))	BDBM50245733 (4-(2,6-dichlorophenyl)-6-(3-(dimethylamino)propyl)...) Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(21.79,-32.39,;23.3,-32.7,;23.79,-34.16,;24.32,-31.55,;23.84,-30.08,;24.86,-28.93,;24.37,-27.47,;22.89,-27,;21.55,-27.77,;20.22,-27,;20.22,-25.46,;18.89,-24.69,;21.55,-24.69,;22.88,-25.45,;24.36,-24.96,;24.97,-23.55,;24.34,-22.15,;22.83,-21.84,;25.47,-21.12,;26.81,-21.88,;28.21,-21.24,;26.5,-23.38,;27.43,-24.62,;26.81,-26.04,;25.27,-26.21,;28.95,-24.45,;29.87,-25.69,;29.25,-27.1,;31.4,-25.51,;32.01,-24.1,;31.09,-22.86,;29.56,-23.04,;29.55,-21.5,)| Show InChI InChI=1S/C25H21Cl2N3O3/c1-29(2)9-4-10-30-18-8-7-13(31)11-14(18)21-19(30)12-15(20-16(26)5-3-6-17(20)27)22-23(21)25(33)28-24(22)32/h3,5-8,11-12,31H,4,9-10H2,1-2H3,(H,28,32,33)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair