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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50471990'   
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))
BDBM50471990
PNG
(CHEMBL149605)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc(Cl)cc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H26ClNO4/c31-24-14-10-21(11-15-24)18-19-36-25-16-12-22(13-17-25)20-28(30(34)35)32-27-9-5-4-8-26(27)29(33)23-6-2-1-3-7-23/h1-17,28,32H,18-20H2,(H,34,35)/t28-/m0/s1
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144n/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))
BDBM50471990
PNG
(CHEMBL149605)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc(Cl)cc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H26ClNO4/c31-24-14-10-21(11-15-24)18-19-36-25-16-12-22(13-17-25)20-28(30(34)35)32-27-9-5-4-8-26(27)29(33)23-6-2-1-3-7-23/h1-17,28,32H,18-20H2,(H,34,35)/t28-/m0/s1
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145n/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))
BDBM50471990
PNG
(CHEMBL149605)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc(Cl)cc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H26ClNO4/c31-24-14-10-21(11-15-24)18-19-36-25-16-12-22(13-17-25)20-28(30(34)35)32-27-9-5-4-8-26(27)29(33)23-6-2-1-3-7-23/h1-17,28,32H,18-20H2,(H,34,35)/t28-/m0/s1
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n/an/an/an/a 447n/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))
BDBM50471990
PNG
(CHEMBL149605)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc(Cl)cc2)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H26ClNO4/c31-24-14-10-21(11-15-24)18-19-36-25-16-12-22(13-17-25)20-28(30(34)35)32-27-9-5-4-8-26(27)29(33)23-6-2-1-3-7-23/h1-17,28,32H,18-20H2,(H,34,35)/t28-/m0/s1
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PC sid
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Article
PubMed
n/an/an/an/a 105n/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