Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50218740'   

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))	BDBM50218740 (2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][...) Show SMILES COc1cc(ccc1C(N)=O)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C21H17N3O3/c1-27-19-11-13(7-9-15(19)20(22)25)12-6-8-14-18(10-12)23-16-4-2-3-5-17(16)24-21(14)26/h2-11,23H,1H3,(H2,22,25)(H,24,26)	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	88	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair				3D Structure (docked)