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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 = 'BDBM50195702'   
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))
BDBM50195702
PNG
(3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 47n/an/an/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195702
PNG
(3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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PubMed
n/an/a 47n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of tritium labeled ligand from human PPARgamma by SPA assay


Bioorg Med Chem Lett 16: 6293-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.028
BindingDB Entry DOI: 10.7270/Q23R0TNK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195702
PNG
(3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
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Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of tritium labeled ligand from human PPARgamma by SPA assay


Bioorg Med Chem Lett 16: 6293-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.028
BindingDB Entry DOI: 10.7270/Q23R0TNK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195702
PNG
(3-[4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES CC(C)OC(=O)NCc1cc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C32H34N2O6/c1-21(2)39-32(37)33-20-27-19-28(15-13-25(27)14-16-30(35)36)38-18-17-29-22(3)40-31(34-29)26-11-9-24(10-12-26)23-7-5-4-6-8-23/h4-13,15,19,21H,14,16-18,20H2,1-3H3,(H,33,37)(H,35,36)
PDB
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GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Eli Lilly and Co

Curated by ChEMBL


Assay Description
Activity at human PPARgamma in CV1 cells


Bioorg Med Chem Lett 16: 6328-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.011
BindingDB Entry DOI: 10.7270/Q2PK0FSC
More data for this
Ligand-Target Pair