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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 = 'BDBM50098776'   
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))
BDBM50098776
PNG
(3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiop...)
Show SMILES CCc1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
Show InChI InChI=1S/C19H20ClN3O4S2/c1-5-13-9-10(2)8-11(3)16(13)21-18(24)17-14(6-7-28-17)29(25,26)23-19-15(20)12(4)22-27-19/h6-9,23H,5H2,1-4H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.430n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against selective Endothelin A receptor


J Med Chem 44: 1211-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BN4
More data for this
Ligand-Target Pair