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BDBM50047845 2-{5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4H-[1,2,4]triazole-3-sulfinylmethyl}-benzoic acid methyl ester::CHEMBL158115

SMILES: CCCCc1nnc(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(=O)Cc1ccccc1C(=O)OC

InChI Key: InChIKey=OOXYKSCYOXSJPF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50047845   
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)
BDBM50047845
PNG
(2-{5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...)
Show SMILES CCCCc1nnc(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)S(=O)Cc1ccccc1C(=O)OC
Show InChI InChI=1S/C29H29N7O3S/c1-3-4-13-26-30-33-29(40(38)19-22-9-5-6-11-24(22)28(37)39-2)36(26)18-20-14-16-21(17-15-20)23-10-7-8-12-25(23)27-31-34-35-32-27/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,31,32,34,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1


J Med Chem 36: 591-609 (1993)


BindingDB Entry DOI: 10.7270/Q2P55MKH
More data for this
Ligand-Target Pair