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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 = 'BDBM50471946'   
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))
BDBM50471946
PNG
(CHEMBL149715)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1
Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/m0/s1
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170n/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))
BDBM50471946
PNG
(CHEMBL149715)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1
Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 550n/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))
BDBM50471946
PNG
(CHEMBL149715)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)N1CCCCC1
Show InChI InChI=1S/C33H35N3O5/c1-23-28(35-33(41-23)36-19-8-3-9-20-36)18-21-40-26-16-14-24(15-17-26)22-30(32(38)39)34-29-13-7-6-12-27(29)31(37)25-10-4-2-5-11-25/h2,4-7,10-17,30,34H,3,8-9,18-22H2,1H3,(H,38,39)/t30-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 51n/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