BDBM50035447 CHEMBL96075::Pentanoic acid (3-{3-butyl-4-[2'-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-amide

SMILES: CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O

InChI Key: InChIKey=GRNGGZASPSJYFR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50035447   

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)	BDBM50035447 (CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...) Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H37Cl2N5O5S/c1-3-5-15-34-41-44(32-23-27(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.160	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 AT2 (RAT)	BDBM50035447 (CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...) Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H37Cl2N5O5S/c1-3-5-15-34-41-44(32-23-27(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	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
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035447 (CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...) Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H37Cl2N5O5S/c1-3-5-15-34-41-44(32-23-27(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.160	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)	BDBM50035447 (CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...) Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H37Cl2N5O5S/c1-3-5-15-34-41-44(32-23-27(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2 receptor from rat midbrain				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50035447 (CHEMBL96075 | Pentanoic acid (3-{3-butyl-4-[2'-(2-...) Show SMILES CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H37Cl2N5O5S/c1-3-5-15-34-41-44(32-23-27(21-22-31(32)39)40-35(45)16-6-4-2)37(47)43(34)24-25-17-19-26(20-18-25)28-11-8-10-14-33(28)50(48,49)42-36(46)29-12-7-9-13-30(29)38/h7-14,17-23H,3-6,15-16,24H2,1-2H3,(H,40,45)(H,42,46)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability of the compound to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1 receptor from rabbit aorta				Bioorg Med Chem Lett 4: 2787-2792 (1994) Article DOI: 10.1016/S0960-894X(01)80595-3 BindingDB Entry DOI: 10.7270/Q2WS8T68
					More data for this Ligand-Target Pair