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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor' and Ligand = 'BDBM50229502'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50229502
PNG
(CHEMBL308824)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(C(N)=O)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O
Show InChI InChI=1S/C32H45N7O8/c1-5-19(4)25(31(44)45)37-29(42)23-12-9-13-39(23)30(43)22(14-21-15-34-17-35-21)36-26(28(33)41)27(40)24(18(2)3)38-32(46)47-16-20-10-7-6-8-11-20/h6-8,10-11,15,17-19,22-26,36H,5,9,12-14,16H2,1-4H3,(H2,33,41)(H,34,35)(H,37,42)(H,38,46)(H,44,45)/t19-,22-,23-,24-,25-,26?/m0/s1
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Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity as antagonist of AII on guinea pig ileum


J Med Chem 34: 2402-10 (1991)


Article DOI: 10.1021/jm00112a014
BindingDB Entry DOI: 10.7270/Q2VD71PJ
More data for this
Ligand-Target Pair