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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 = 'BDBM50127760'   
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))
BDBM50127760
PNG
(2-[4-(4-Ethoxy-phenyl)-6-methyl-pyrimidin-2-yloxy]...)
Show SMILES CCOc1ccc(cc1)-c1cc(C)nc(OC(C(O)=O)C(C)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O4/c1-4-34-24-17-15-21(16-18-24)25-19-20(2)30-28(31-25)35-26(27(32)33)29(3,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,26H,4H2,1-3H3,(H,32,33)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Antagonist activity of the compound against human ETA receptor using CHO cells


Bioorg Med Chem Lett 13: 1721-4 (2003)


BindingDB Entry DOI: 10.7270/Q2DJ5F1K
More data for this
Ligand-Target Pair