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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50079418'   
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))
BDBM50079418
PNG
(3,3-Bis-(4-chloro-phenyl)-3-[2-(3,4-dimethoxy-phen...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C31H30Cl2N2O7/c1-19-17-27(40-4)35-30(34-19)42-28(29(36)37)31(21-6-10-23(32)11-7-21,22-8-12-24(33)13-9-22)41-16-15-20-5-14-25(38-2)26(18-20)39-3/h5-14,17-18,28H,15-16H2,1-4H3,(H,36,37)
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Article
PubMed
130n/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