Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM16591'   

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))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	659	-35.9	n/a	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Servier Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 19: 841-4 (2009) Article DOI: 10.1016/j.bmcl.2008.12.001 BindingDB Entry DOI: 10.7270/Q2QN66MH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	725	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against checkpoint kinase 1 (Chk1) by using [gamma-33P]-ATP] as radioligand				Bioorg Med Chem Lett 14: 4319-21 (2004) Article DOI: 10.1016/j.bmcl.2004.05.079 BindingDB Entry DOI: 10.7270/Q2ZP45MV
					More data for this Ligand-Target Pair