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PDB code 2Q6S

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor

  (273/273 = 100%)
(Homo sapiens (Human))
BDBM50093475
PNG
(CHEMBL1204498)
Show SMILES OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H23N5O4/c1-2-3-4-5-16-13-10-14(18-7-17-13)20(8-19-10)15-12(23)11(22)9(6-21)24-15/h7-9,11-12,15,21-23H,2-6H2,1H3,(H,16,17,18)/t9?,11-,12-,15?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Universitat Rovira i Virgili (URV)

Curated by ChEMBL


Assay Description
Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay


J Med Chem 58: 5381-94 (2015)


Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output