Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Type-2 angiotensin II receptor' and Ligand = 'BDBM50030694'   

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-2 angiotensin II receptor (RAT)	BDBM50030694 (CHEMBL273542 | N-{4-Bromo-3-[3-ethyl-4-(3-fluoro-2...) Show SMILES CCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H33BrFN5O6S/c1-5-31-39-42(29-20-25(17-18-27(29)36)38-32(43)22-11-7-6-8-12-22)34(45)41(31)21-24-16-15-23(19-28(24)37)26-13-9-10-14-30(26)49(46,47)40-33(44)48-35(2,3)4/h6-20H,5,21H2,1-4H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.180	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 type 2 receptor in rat adrenal membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50030694 (CHEMBL273542 | N-{4-Bromo-3-[3-ethyl-4-(3-fluoro-2...) Show SMILES CCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H33BrFN5O6S/c1-5-31-39-42(29-20-25(17-18-27(29)36)38-32(43)22-11-7-6-8-12-22)34(45)41(31)21-24-16-15-23(19-28(24)37)26-13-9-10-14-30(26)49(46,47)40-33(44)48-35(2,3)4/h6-20H,5,21H2,1-4H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.930	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 2 in rat midbrain membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50030694 (CHEMBL273542 | N-{4-Bromo-3-[3-ethyl-4-(3-fluoro-2...) Show SMILES CCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H33BrFN5O6S/c1-5-31-39-42(29-20-25(17-18-27(29)36)38-32(43)22-11-7-6-8-12-22)34(45)41(31)21-24-16-15-23(19-28(24)37)26-13-9-10-14-30(26)49(46,47)40-33(44)48-35(2,3)4/h6-20H,5,21H2,1-4H3,(H,38,43)(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.10	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 2 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