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BDBM50155832 3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy-phenyl]-2-cyano-N-(5-methylsulfanyl-[1,3,4]thiadiazol-2-yl)-acrylamide::CHEMBL187409

SMILES: COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PUHJZFAROGKHJQ-VGOFMYFVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155832   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen-related receptor alpha


(Homo sapiens (Human))
BDBM50155832
PNG
(3-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2nnc(SC)s2)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H16F6N4O3S2/c1-35-18-8-12(7-14(10-30)19(34)31-20-32-33-21(37-2)38-20)3-6-17(18)36-11-13-4-5-15(22(24,25)26)9-16(13)23(27,28)29/h3-9H,11H2,1-2H3,(H,31,32,34)/b14-7+
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Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



X-Ceptor Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of estrogen-related receptor alpha Gal4 activity


J Med Chem 47: 5593-6 (2004)


Article DOI: 10.1021/jm049334f
BindingDB Entry DOI: 10.7270/Q2959H16
More data for this
Ligand-Target Pair