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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50471948'   
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))
BDBM50471948
PNG
(CHEMBL149647)
Show SMILES COCn1c(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)c(C)nc1-c1ccccc1
Show InChI InChI=1S/C36H35N3O5/c1-25-33(39(24-43-2)35(37-25)28-13-7-4-8-14-28)21-22-44-29-19-17-26(18-20-29)23-32(36(41)42)38-31-16-10-9-15-30(31)34(40)27-11-5-3-6-12-27/h3-20,32,38H,21-24H2,1-2H3,(H,41,42)/t32-/m0/s1
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2n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma


J Med Chem 41: 5037-54 (1998)


Article DOI: 10.1021/jm980413z
BindingDB Entry DOI: 10.7270/Q2J38W9F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50471948
PNG
(CHEMBL149647)
Show SMILES COCn1c(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)c(C)nc1-c1ccccc1
Show InChI InChI=1S/C36H35N3O5/c1-25-33(39(24-43-2)35(37-25)28-13-7-4-8-14-28)21-22-44-29-19-17-26(18-20-29)23-32(36(41)42)38-31-16-10-9-15-30(31)34(40)27-11-5-3-6-12-27/h3-20,32,38H,21-24H2,1-2H3,(H,41,42)/t32-/m0/s1
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Article
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n/an/an/an/a 120n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferat...


J Med Chem 41: 5037-54 (1998)


Article DOI: 10.1021/jm980413z
BindingDB Entry DOI: 10.7270/Q2J38W9F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50471948
PNG
(CHEMBL149647)
Show SMILES COCn1c(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)c(C)nc1-c1ccccc1
Show InChI InChI=1S/C36H35N3O5/c1-25-33(39(24-43-2)35(37-25)28-13-7-4-8-14-28)21-22-44-29-19-17-26(18-20-29)23-32(36(41)42)38-31-16-10-9-15-30(31)34(40)27-11-5-3-6-12-27/h3-20,32,38H,21-24H2,1-2H3,(H,41,42)/t32-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 81n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate activity (Transactivation) against Peroxisome proliferator activated ...


J Med Chem 41: 5037-54 (1998)


Article DOI: 10.1021/jm980413z
BindingDB Entry DOI: 10.7270/Q2J38W9F
More data for this
Ligand-Target Pair