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SMILES: [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=JKJGCVQLCJSSRW-UHFFFAOYSA-M

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50121421   
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 gamma


(Homo sapiens (Human))
BDBM50121421
PNG
(CHEMBL118546 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29/h1-9H,(H,23,25)(H,26,27)/p-1
PDB
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PubMed
180n/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 alpha


(Homo sapiens (Human))
BDBM50121421
PNG
(CHEMBL118546 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29/h1-9H,(H,23,25)(H,26,27)/p-1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR gamma


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))
BDBM50121421
PNG
(CHEMBL118546 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29/h1-9H,(H,23,25)(H,26,27)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 400n/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR gamma


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 alpha


(Homo sapiens (Human))
BDBM50121421
PNG
(CHEMBL118546 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(Oc2ccc(cn2)[N+]([O-])=O)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H11Cl2N3O6/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29/h1-9H,(H,23,25)(H,26,27)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha


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


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