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BDBM50212273 3-(3-(1,4,4,6-tetramethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-4-(trifluoromethoxy)phenyl)acrylic acid::CHEMBL247836

SMILES: CN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F

InChI Key: InChIKey=OFANDPMVUOFJJR-SOFGYWHQSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212273   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212273
PNG
(3-(3-(1,4,4,6-tetramethyl-2-oxo-1,2,3,4-tetrahydro...)
Show SMILES CN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C23H22F3NO4/c1-13-9-17-18(27(4)20(28)12-22(17,2)3)11-15(13)16-10-14(6-8-21(29)30)5-7-19(16)31-23(24,25)26/h5-11H,12H2,1-4H3,(H,29,30)/b8-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars

Article
PubMed
n/an/an/an/a 24.3n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
More data for this
Ligand-Target Pair