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BDBM50035439 CHEMBL343142::N-(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)-3-methyl-butyramide

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

InChI Key: InChIKey=ZOAKDVMBQADHAQ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50035439   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50035439
PNG
(CHEMBL343142 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-5-14-34-41-44(32-22-27(19-20-31(32)39)40-35(45)21-24(2)3)37(47)43(34)23-25-15-17-26(18-16-25)28-10-7-9-13-33(28)50(48,49)42-36(46)29-11-6-8-12-30(29)38/h6-13,15-20,22,24H,4-5,14,21,23H2,1-3H3,(H,40,45)(H,42,46)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.110n/an/an/an/an/an/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)
BDBM50035439
PNG
(CHEMBL343142 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-5-14-34-41-44(32-22-27(19-20-31(32)39)40-35(45)21-24(2)3)37(47)43(34)23-25-15-17-26(18-16-25)28-10-7-9-13-33(28)50(48,49)42-36(46)29-11-6-8-12-30(29)38/h6-13,15-20,22,24H,4-5,14,21,23H2,1-3H3,(H,40,45)(H,42,46)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.110n/an/an/an/an/an/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)
BDBM50035439
PNG
(CHEMBL343142 | N-(3-{3-Butyl-4-[2'-(2-chloro-benzo...)
Show SMILES CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C37H37Cl2N5O5S/c1-4-5-14-34-41-44(32-22-27(19-20-31(32)39)40-35(45)21-24(2)3)37(47)43(34)23-25-15-17-26(18-16-25)28-10-7-9-13-33(28)50(48,49)42-36(46)29-11-6-8-12-30(29)38/h6-13,15-20,22,24H,4-5,14,21,23H2,1-3H3,(H,40,45)(H,42,46)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30n/an/an/an/an/an/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