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BDBM50294913 1-(2,6-dichloro-4-(hexylsulfonyl)phenyl)-3-(2-methylaziridin-1-yl)propan-1-one::CHEMBL563943

SMILES: CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CC2C)c(Cl)c1

InChI Key: InChIKey=GRRARQOFQOLEAH-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50294913
PNG
(1-(2,6-dichloro-4-(hexylsulfonyl)phenyl)-3-(2-meth...)
Show SMILES CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CC2C)c(Cl)c1
Show InChI InChI=1S/C18H25Cl2NO3S/c1-3-4-5-6-9-25(23,24)14-10-15(19)18(16(20)11-14)17(22)7-8-21-12-13(21)2/h10-11,13H,3-9,12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/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