Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50221585'   

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))	BDBM50221585 (3-(4-(1H-tetrazol-5-yl)phenyl)-6,7-dimethoxy-1,4-d...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(cc3)-c3nnn[nH]3)-c2cc1OC Show InChI InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	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 (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221585 (3-(4-(1H-tetrazol-5-yl)phenyl)-6,7-dimethoxy-1,4-d...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(cc3)-c3nnn[nH]3)-c2cc1OC Show InChI InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221585 (3-(4-(1H-tetrazol-5-yl)phenyl)-6,7-dimethoxy-1,4-d...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(cc3)-c3nnn[nH]3)-c2cc1OC Show InChI InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CSAR					Assay Description Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (crystal)