Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50030688'   

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
Type-1 angiotensin II receptor (RABBIT)	BDBM50030688 (CHEMBL122917 | N-(3-{3-Butyl-4-[2'-(3,3-dimethyl-b...) Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)CC(C)(C)C Show InChI InChI=1S/C35H39F4N5O5S/c1-6-8-13-30-41-44(28-19-24(40-31(45)7-2)16-17-26(28)35(37,38)39)33(47)43(30)21-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)50(48,49)42-32(46)20-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50030688 (CHEMBL122917 | N-(3-{3-Butyl-4-[2'-(3,3-dimethyl-b...) Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)CC(C)(C)C Show InChI InChI=1S/C35H39F4N5O5S/c1-6-8-13-30-41-44(28-19-24(40-31(45)7-2)16-17-26(28)35(37,38)39)33(47)43(30)21-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)50(48,49)42-32(46)20-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50030688 (CHEMBL122917 | N-(3-{3-Butyl-4-[2'-(3,3-dimethyl-b...) Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)CC(C)(C)C Show InChI InChI=1S/C35H39F4N5O5S/c1-6-8-13-30-41-44(28-19-24(40-31(45)7-2)16-17-26(28)35(37,38)39)33(47)43(30)21-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)50(48,49)42-32(46)20-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,40,45)(H,42,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50030688 (CHEMBL122917 | N-(3-{3-Butyl-4-[2'-(3,3-dimethyl-b...) Show SMILES CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)CC(C)(C)C Show InChI InChI=1S/C35H39F4N5O5S/c1-6-8-13-30-41-44(28-19-24(40-31(45)7-2)16-17-26(28)35(37,38)39)33(47)43(30)21-23-15-14-22(18-27(23)36)25-11-9-10-12-29(25)50(48,49)42-32(46)20-34(3,4)5/h9-12,14-19H,6-8,13,20-21H2,1-5H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S
					More data for this Ligand-Target Pair