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BDBM50155823 2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-methoxy-phenyl}-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acrylamide::CHEMBL366083

SMILES: CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)s1

InChI Key: InChIKey=WCQXEZWPZDDRRE-CPNJWEJPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155823   
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))
BDBM50155823
PNG
(2-Cyano-3-{4-[2-(2,6-dimethyl-phenoxy)-ethoxy]-3-m...)
Show SMILES CCc1nnc(NC(=O)C(=C\c2ccc(OCCOc3c(C)cccc3C)c(OC)c2)\C#N)s1
Show InChI InChI=1S/C25H26N4O4S/c1-5-22-28-29-25(34-22)27-24(30)19(15-26)13-18-9-10-20(21(14-18)31-4)32-11-12-33-23-16(2)7-6-8-17(23)3/h6-10,13-14H,5,11-12H2,1-4H3,(H,27,29,30)/b19-13+
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Similars

Article
PubMed
n/an/a 2.00E+3n/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