Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50218720'   

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))	BDBM50218720 (2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(CC(=O)N(C)C)ccc3NC2=O)c1 Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)26-20-12-15(5-7-17(20)24(30)27-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)	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	6	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50218720 (2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(CC(=O)N(C)C)ccc3NC2=O)c1 Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)26-20-12-15(5-7-17(20)24(30)27-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)	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	3.25E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antiproliferative activity against HeLa cells by MTS assay				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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50218720 (2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3cc(CC(=O)N(C)C)ccc3NC2=O)c1 Show InChI InChI=1S/C24H24N4O3/c1-28(2)23(29)11-14-4-9-19-21(10-14)26-20-12-15(5-7-17(20)24(30)27-19)16-6-8-18(25)22(13-16)31-3/h4-10,12-13,26H,11,25H2,1-3H3,(H,27,30)	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	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Cell cycle arrest in HeLa cells assessed as accumulation at G2/M phase by FACS assay				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