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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50079422'   
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
EDNRB


(Homo sapiens (Human))
BDBM50079422
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES COc1cc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C33H34N2O7/c1-22-19-23(2)35-32(34-22)42-30(31(36)37)33(25-14-8-6-9-15-25,26-16-10-7-11-17-26)41-18-12-13-24-20-27(38-3)29(40-5)28(21-24)39-4/h6-17,19-21,30H,18H2,1-5H3,(H,36,37)/b13-12+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B 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