Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50212495'   

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))	BDBM50212495 (4'-(5-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...) Show SMILES OCc1cccc-2c1Cc1c-2[nH]nc1-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C23H18N2O2/c26-13-17-2-1-3-19-20(17)12-21-22(24-25-23(19)21)16-6-4-14(5-7-16)15-8-10-18(27)11-9-15/h1-11,26-27H,12-13H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212495 (4'-(5-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...) Show SMILES OCc1cccc-2c1Cc1c-2[nH]nc1-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C23H18N2O2/c26-13-17-2-1-3-19-20(17)12-21-22(24-25-23(19)21)16-6-4-14(5-7-16)15-8-10-18(27)11-9-15/h1-11,26-27H,12-13H2,(H,24,25)	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	7.80	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				3D Structure (docked)