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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 = 'BDBM50050788'   
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))
BDBM50050788
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...)
Show SMILES COc1cccc(c1)C(OC)(C(Oc1nc(OC)cc(OC)n1)C(O)=O)c1cccc(OC)c1
Show InChI InChI=1S/C24H26N2O8/c1-29-17-10-6-8-15(12-17)24(33-5,16-9-7-11-18(13-16)30-2)21(22(27)28)34-23-25-19(31-3)14-20(26-23)32-4/h6-14,21H,1-5H3,(H,27,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22n/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