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BDBM50217326 CHEMBL115448

SMILES: O=C1CSC(=O)N1Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1

InChI Key: InChIKey=SANVBTUOCRVCNP-UHFFFAOYSA-N

Data: 1 KI  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 = 50217326   
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))
BDBM50217326
PNG
(CHEMBL115448)
Show SMILES O=C1CSC(=O)N1Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O2S/c29-24-17-31-26(30)28(24)16-19-12-14-23-22(15-19)21(13-11-18-7-3-1-4-8-18)25(27-23)20-9-5-2-6-10-20/h1-10,12,14-15,27H,11,13,16-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.91E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50217326
PNG
(CHEMBL115448)
Show SMILES O=C1CSC(=O)N1Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O2S/c29-24-17-31-26(30)28(24)16-19-12-14-23-22(15-19)21(13-11-18-7-3-1-4-8-18)25(27-23)20-9-5-2-6-10-20/h1-10,12,14-15,27H,11,13,16-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair