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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50284714'   
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 receptor type B


(Homo sapiens (Human))
BDBM50284714
PNG
(5-(2-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)
Show SMILES COc1ccccc1-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H20O6/c1-32-19-9-5-4-6-14(19)13-10-11-16-18(12-13)24(27)17-8-3-2-7-15(17)20-21(16)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human ETB receptor


Bioorg Med Chem Lett 5: 1401-1404 (1995)


Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J
More data for this
Ligand-Target Pair