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BDBM50146183 CHEMBL3765692

SMILES: CCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12

InChI Key: InChIKey=WPVFPWQKXIMKSR-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50146183   
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
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens (Human))
BDBM50146183
PNG
(CHEMBL3765692)
Show SMILES CCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1/C24H30N2O4/c1-5-17(4)29-15-23(27)26-21-9-7-6-8-18(21)10-11-19-12-13-20(14-22(19)26)25-24(28)30-16(2)3/h6-9,12-14,16-17H,5,10-11,15H2,1-4H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair