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BDBM50428879 CHEMBL2331787

SMILES: CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)ccc1Oc1cncc(Cl)c1

InChI Key: InChIKey=HKPZGTVJXKCQLL-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 = 50428879   
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))
BDBM50428879
PNG
(CHEMBL2331787)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H16Cl2F3N3O4S/c1-2-28-20(30)16-9-14(4-5-18(16)33-15-8-13(22)10-27-11-15)29-34(31,32)19-6-3-12(7-17(19)23)21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 30n/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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428879
PNG
(CHEMBL2331787)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H16Cl2F3N3O4S/c1-2-28-20(30)16-9-14(4-5-18(16)33-15-8-13(22)10-27-11-15)29-34(31,32)19-6-3-12(7-17(19)23)21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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