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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRA' and Ligand = 'BDBM50085856'   
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
EDNRA


(RAT)
BDBM50085856
PNG
(CHEMBL355413 | [5-(Benzo[1,3]dioxol-5-ylmethoxy)-2...)
Show SMILES OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1
Show InChI InChI=1S/C23H17NO6/c24-12-17-7-8-18(27-13-15-6-9-19-21(10-15)29-14-28-19)11-20(17)30-22(23(25)26)16-4-2-1-3-5-16/h1-11,22H,13-14H2,(H,25,26)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 41n/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