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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 = 'BDBM50407615'   
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)
BDBM50407615
PNG
(CHEMBL343516)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2cn(C=O)c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C32H42N6O8/c1-17(2)12-21-28(42)33-22(13-19-15-37(16-39)24-9-6-5-8-20(19)24)29(43)35-23(14-26(40)41)32(46)38-11-7-10-25(38)30(44)36-27(18(3)4)31(45)34-21/h5-6,8-9,15-18,21-23,25,27H,7,10-14H2,1-4H3,(H,33,42)(H,34,45)(H,35,43)(H,36,44)(H,40,41)/t21-,22+,23+,25-,27+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 18n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.


J Med Chem 38: 4309-24 (1995)


BindingDB Entry DOI: 10.7270/Q2D50M0H
More data for this
Ligand-Target Pair