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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor ET-A' and Ligand = 'BDBM50104983'   
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


(Sus scrofa)
BDBM50104983
PNG
(4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2cccs2)nc1
Show InChI InChI=1S/C25H27N5O4S3/c1-25(2,3)17-7-9-19(10-8-17)37(31,32)30-22-21(20-6-5-13-36-20)23(29-16-28-22)33-11-12-34-24-26-14-18(35-4)15-27-24/h5-10,13-16H,11-12H2,1-4H3,(H,28,29,30)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.890n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells


J Med Chem 44: 3355-68 (2001)


BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair