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BDBM50085855 CHEMBL170202::[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-(2-trifluoromethyl-phenyl)-acetic acid

SMILES: OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1C(F)(F)F

InChI Key: InChIKey=HRPHGGDUHPKFGM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085855   
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
EDNRA


(RAT)
BDBM50085855
PNG
(CHEMBL170202 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c25-24(26,27)18-4-2-1-3-17(18)22(23(29)30)34-20-10-16(7-6-15(20)11-28)31-12-14-5-8-19-21(9-14)33-13-32-19/h1-10,22H,12-13H2,(H,29,30)
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.


J Med Chem 43: 900-10 (2000)


Article DOI: 10.1021/jm990378b
BindingDB Entry DOI: 10.7270/Q2154G73
More data for this
Ligand-Target Pair