Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Type-1 angiotensin II receptor' and Ligand = 'BDBM50030717'   

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)	BDBM50030717 (CHEMBL338342 | N-{4-Bromo-3-[4-(3-fluoro-2-(N-t-bu...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C36H35BrFN5O6S/c1-5-11-32-40-43(30-21-26(18-19-28(30)37)39-33(44)23-12-7-6-8-13-23)35(46)42(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)50(47,48)41-34(45)49-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,39,44)(H,41,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	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)	BDBM50030717 (CHEMBL338342 | N-{4-Bromo-3-[4-(3-fluoro-2-(N-t-bu...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C36H35BrFN5O6S/c1-5-11-32-40-43(30-21-26(18-19-28(30)37)39-33(44)23-12-7-6-8-13-23)35(46)42(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)50(47,48)41-34(45)49-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,39,44)(H,41,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.240	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 (RABBIT)	BDBM50030717 (CHEMBL338342 | N-{4-Bromo-3-[4-(3-fluoro-2-(N-t-bu...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C36H35BrFN5O6S/c1-5-11-32-40-43(30-21-26(18-19-28(30)37)39-33(44)23-12-7-6-8-13-23)35(46)42(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)50(47,48)41-34(45)49-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,39,44)(H,41,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.240	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))	BDBM50030717 (CHEMBL338342 | N-{4-Bromo-3-[4-(3-fluoro-2-(N-t-bu...) Show SMILES CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C36H35BrFN5O6S/c1-5-11-32-40-43(30-21-26(18-19-28(30)37)39-33(44)23-12-7-6-8-13-23)35(46)42(32)22-25-17-16-24(20-29(25)38)27-14-9-10-15-31(27)50(47,48)41-34(45)49-36(2,3)4/h6-10,12-21H,5,11,22H2,1-4H3,(H,39,44)(H,41,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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 human adrenal membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair