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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 = 'BDBM50079435'   
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))
BDBM50079435
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-ethoxy-...)
Show SMILES CCOc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C32H34N2O6/c1-5-38-27-17-16-24(21-28(27)37-4)18-19-39-32(25-12-8-6-9-13-25,26-14-10-7-11-15-26)29(30(35)36)40-31-33-22(2)20-23(3)34-31/h6-17,20-21,29H,5,18-19H2,1-4H3,(H,35,36)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.13n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair