BDBM50035461 4'-[1-(5-Benzylamino-2-chloro-phenyl)-3-butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide::CHEMBL343634

SMILES: CCCCc1nn(-c2cc(NCc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl

InChI Key: InChIKey=RKXPGJXBXNKDPW-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50035461   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035461 (4'-[1-(5-Benzylamino-2-chloro-phenyl)-3-butyl-5-ox...) Show SMILES CCCCc1nn(-c2cc(NCc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C39H35Cl2N5O4S/c1-2-3-17-37-43-46(35-24-30(22-23-34(35)41)42-25-27-11-5-4-6-12-27)39(48)45(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)51(49,50)44-38(47)32-14-7-9-15-33(32)40/h4-16,18-24,42H,2-3,17,25-26H2,1H3,(H,44,47)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a...				J Med Chem 37: 4464-78 (1995) BindingDB Entry DOI: 10.7270/Q2WD3ZK5
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035461 (4'-[1-(5-Benzylamino-2-chloro-phenyl)-3-butyl-5-ox...) Show SMILES CCCCc1nn(-c2cc(NCc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C39H35Cl2N5O4S/c1-2-3-17-37-43-46(35-24-30(22-23-34(35)41)42-25-27-11-5-4-6-12-27)39(48)45(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)51(49,50)44-38(47)32-14-7-9-15-33(32)40/h4-16,18-24,42H,2-3,17,25-26H2,1H3,(H,44,47)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at AT1 receptor in rabbit aorta membranes				Citation and Details Article DOI: 10.1007/s00044-013-0831-x BindingDB Entry DOI: 10.7270/Q2C82BRJ
					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50035461 (4'-[1-(5-Benzylamino-2-chloro-phenyl)-3-butyl-5-ox...) Show SMILES CCCCc1nn(-c2cc(NCc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C39H35Cl2N5O4S/c1-2-3-17-37-43-46(35-24-30(22-23-34(35)41)42-25-27-11-5-4-6-12-27)39(48)45(37)26-28-18-20-29(21-19-28)31-13-8-10-16-36(31)51(49,50)44-38(47)32-14-7-9-15-33(32)40/h4-16,18-24,42H,2-3,17,25-26H2,1H3,(H,44,47)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid b...				J Med Chem 37: 4464-78 (1995) BindingDB Entry DOI: 10.7270/Q2WD3ZK5
					More data for this Ligand-Target Pair