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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 = 'BDBM50105040'   
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)
BDBM50105040
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(5-meth...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(OC)cn2)c1
Show InChI InChI=1S/C28H31N5O7S/c1-28(2,3)19-9-11-23(12-10-19)41(34,35)33-25-24(40-21-8-6-7-20(15-21)36-4)26(32-18-31-25)38-13-14-39-27-29-16-22(37-5)17-30-27/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0150n/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