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BDBM50085837 CHEMBL170715::[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-(2-trifluoromethyl-phenyl)-acetic acid

SMILES: OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1C(F)(F)F

InChI Key: InChIKey=DOBAMTNAGGMTSB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085837   
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)
BDBM50085837
PNG
(CHEMBL170715 | [2-Cyano-5-(thiophen-3-ylmethoxy)-p...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H14F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)19(20(26)27)29-18-9-15(6-5-14(18)10-25)28-11-13-7-8-30-12-13/h1-9,12,19H,11H2,(H,26,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 53n/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