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BDBM50428853 CHEMBL2331784

SMILES: CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1

InChI Key: InChIKey=ATATWYPMZHQPEU-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50428853   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428853
PNG
(CHEMBL2331784)
Show SMILES CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428853
PNG
(CHEMBL2331784)
Show SMILES CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2O5S/c1-2-28-20(25)18-10-15(24-30(26,27)17-6-3-13(21)4-7-17)5-8-19(18)29-16-9-14(22)11-23-12-16/h3-12,24H,2H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Transactivation of GAL4 DBD-fused human PPARgamma-LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair