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BDBM50121410 CHEMBL420525::Lithium; 2-(2,4-dichloro-benzoylamino)-5-(2-pyridin-2-yl-ethoxy)-benzoate

SMILES: [O-]C(=O)c1cc(OCCc2ccccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=KPVYCWCEYPSTHH-UHFFFAOYSA-M

Data: 2 KI  1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50121410   
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))
BDBM50121410
PNG
(CHEMBL420525 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(OCCc2ccccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)/p-1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.50E+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 alpha


(Homo sapiens (Human))
BDBM50121410
PNG
(CHEMBL420525 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(OCCc2ccccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+5n/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))
BDBM50121410
PNG
(CHEMBL420525 | Lithium; 2-(2,4-dichloro-benzoylami...)
Show SMILES [O-]C(=O)c1cc(OCCc2ccccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 3.20E+3n/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