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BDBM50042269 4'-(2-Butyl-8-carboxymethyl-4-oxo-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid::CHEMBL114590

SMILES: CCCCC1=NC2(CCN(CC(O)=O)CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O

InChI Key: InChIKey=JTMFSHYNCXRJGZ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042269   
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 AT1B


(RAT)
BDBM50042269
PNG
(4'-(2-Butyl-8-carboxymethyl-4-oxo-1,3,8-triaza-spi...)
Show SMILES CCCCC1=NC2(CCN(CC(O)=O)CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H31N3O5/c1-2-3-8-23-28-27(13-15-29(16-14-27)18-24(31)32)26(35)30(23)17-19-9-11-20(12-10-19)21-6-4-5-7-22(21)25(33)34/h4-7,9-12H,2-3,8,13-18H2,1H3,(H,31,32)(H,33,34)
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Similars

Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Sanofi Recherche

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membran...


J Med Chem 36: 3371-80 (1993)


Article DOI: 10.1021/jm00074a018
BindingDB Entry DOI: 10.7270/Q22Z14M0
More data for this
Ligand-Target Pair