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BDBM50031952 (S)-3-Methyl-2-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo[a,d]cyclohepten-3-ylmethyl]-pentanoyl-amino}-butyric acid::CHEMBL90834

SMILES: CCCCC(=O)N(Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=YYMAPZOOTHITQF-DEOSSOPVSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031952   
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 receptor


(Homo sapiens (Human))
BDBM50031952
PNG
((S)-3-Methyl-2-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-di...)
Show SMILES CCCCC(=O)N(Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C27H29N5O4/c1-4-5-10-23(33)32(24(16(2)3)27(35)36)15-17-11-12-20-21(13-17)25(34)19-9-7-6-8-18(19)14-22(20)26-28-30-31-29-26/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,35,36)(H,28,29,30,31)/t24-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


Article DOI: 10.1021/jm00014a024
BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair