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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 = 'BDBM50050810'   
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))
BDBM50050810
PNG
(3-Methoxy-2-(4-methyl-pyrimidin-2-yloxy)-3,3-diphe...)
Show SMILES COC(C(Oc1nccc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c1-15-13-14-22-20(23-15)27-18(19(24)25)21(26-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,18H,1-2H3,(H,24,25)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair