BindingDB logo
myBDB logout

BDBM50322677 4-(Benzylamino)-6-(benzylthio)-2-(butylthio)pyrimidine-5-carboxylic Acid::CHEMBL1171456

SMILES: CCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1

InChI Key: InChIKey=CDYDAAJLMKKNFH-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50322677   
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))
BDBM50322677
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(butylthio)pyrimi...)
Show SMILES CCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C23H25N3O2S2/c1-2-3-14-29-23-25-20(24-15-17-10-6-4-7-11-17)19(22(27)28)21(26-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,27,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 550n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...


J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair