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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 = 'BDBM50050809'   
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))
BDBM50050809
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-(4-isopropyl...)
Show SMILES COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(Oc1ccc(cc1)C(C)C)c1ccccc1
Show InChI InChI=1S/C26H30N2O6/c1-17(2)18-12-14-20(15-13-18)34-26(3,19-10-8-7-9-11-19)23(24(29)32-6)33-25-27-21(30-4)16-22(28-25)31-5/h7-17,23H,1-6H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/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