Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50091304'   

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))	BDBM50091304 (CHEMBL3582221) Show SMILES OCc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H24N4O/c28-15-19-11-20-21-10-18(12-25-23(21)26-22(20)13-24-19)17-6-4-16(5-7-17)14-27-8-2-1-3-9-27/h4-7,10-13,28H,1-3,8-9,14-15H2,(H,25,26)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091304 (CHEMBL3582221) Show SMILES OCc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H24N4O/c28-15-19-11-20-21-10-18(12-25-23(21)26-22(20)13-24-19)17-6-4-16(5-7-17)14-27-8-2-1-3-9-27/h4-7,10-13,28H,1-3,8-9,14-15H2,(H,25,26)	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	n/a	n/a	447	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair