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BDBM50294958 4-(3-(4-(Hexylthio)-2,6-dimethylphenyl)-3-oxopropyl)piperazin-2-one::CHEMBL550759

SMILES: CCCCCCSc1cc(C)c(C(=O)CCN2CCNC(=O)C2)c(C)c1

InChI Key: InChIKey=REZVGJMWNPWJJX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294958   
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50294958
PNG
(4-(3-(4-(Hexylthio)-2,6-dimethylphenyl)-3-oxopropy...)
Show SMILES CCCCCCSc1cc(C)c(C(=O)CCN2CCNC(=O)C2)c(C)c1
Show InChI InChI=1S/C21H32N2O2S/c1-4-5-6-7-12-26-18-13-16(2)21(17(3)14-18)19(24)8-10-23-11-9-22-20(25)15-23/h13-14H,4-12,15H2,1-3H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



St. Jude Children's Hospital

Curated by ChEMBL


Assay Description
Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 52: 3892-901 (2009)


Article DOI: 10.1021/jm9002704
BindingDB Entry DOI: 10.7270/Q2S75GCS
More data for this
Ligand-Target Pair