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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin receptor ET-A' and Monomerid = 50304496   
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
Endothelin receptor ET-A


(Mus musculus)
BDBM50304496
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCF)c1)c1ccc2OCOc2c1
Show InChI InChI=1/C29H27FO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.09n/an/an/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes


Bioorg Med Chem 17: 7197-208 (2009)


Article DOI: 10.1016/j.bmc.2009.08.058
BindingDB Entry DOI: 10.7270/Q27S7NVF
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Mus musculus)
BDBM50304496
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCF)c1)c1ccc2OCOc2c1
Show InChI InChI=1/C29H27FO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University Hospital Mu£nster

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting


J Med Chem 54: 939-48 (2011)


Article DOI: 10.1021/jm101110w
BindingDB Entry DOI: 10.7270/Q2V69JW4
More data for this
Ligand-Target Pair