Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204716'   

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))	BDBM50204716 (4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)S(N)(=O)=O)c1 |wU:4.7,wD:1.0,(-9.56,-2.9,;-8.22,-2.14,;-6.89,-2.91,;-5.55,-2.14,;-5.54,-.62,;-6.89,.16,;-8.21,-.6,;-4.22,.15,;-2.88,-.62,;-1.55,.15,;-1.55,1.7,;-.22,2.47,;1.11,1.71,;1.11,.15,;2.58,-.32,;3.5,.92,;4.98,1.4,;4.98,2.95,;3.5,3.44,;2.58,2.18,;6.22,.5,;6.06,-1.04,;7.3,-1.94,;8.7,-1.31,;8.86,.22,;7.62,1.12,;9.95,-2.22,;11.19,-3.12,;9.05,-3.47,;10.85,-.98,;-.22,-.62,)| Show InChI InChI=1S/C24H28N4O2S/c1-15-2-7-19(8-3-15)26-14-16-4-11-21-18(12-16)13-22-23(27-28-24(21)22)17-5-9-20(10-6-17)31(25,29)30/h4-6,9-12,15,19,26H,2-3,7-8,13-14H2,1H3,(H,27,28)(H2,25,29,30)/t15-,19-	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	535	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