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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 = 'BDBM50068687'   
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


(RAT)
BDBM50068687
PNG
(4'-tert-Butyl-biphenyl-2-sulfonic acid (3,4-dimeth...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14-15(2)22-26-20(14)23-27(24,25)19-9-7-6-8-18(19)16-10-12-17(13-11-16)21(3,4)5/h6-13,23H,1-5H3
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PC cid
PC sid
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Patents


Similars

Article
PubMed
61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair