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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50121413'   
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 gamma


(Homo sapiens (Human))
BDBM50121413
PNG
(CHEMBL118852 | Lithium; 4-(2,4-dichloro-benzoylami...)
Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O
Show InChI InChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28)/p-1
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...


Bioorg Med Chem Lett 12: 3565-7 (2002)


BindingDB Entry DOI: 10.7270/Q2Q23ZK5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50121413
PNG
(CHEMBL118852 | Lithium; 4-(2,4-dichloro-benzoylami...)
Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(c1)C([O-])=O
Show InChI InChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28)/p-1
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 300n/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome pr...


Bioorg Med Chem Lett 12: 3565-7 (2002)


BindingDB Entry DOI: 10.7270/Q2Q23ZK5
More data for this
Ligand-Target Pair