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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50422250'   
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-1 receptor


(Homo sapiens (Human))
BDBM50422250
PNG
(CHEMBL268174)
Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor


J Med Chem 40: 996-1004 (1997)


Article DOI: 10.1021/jm9604585
BindingDB Entry DOI: 10.7270/Q25H7HKT
More data for this
Ligand-Target Pair