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SMILES: Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(O)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1

InChI Key: InChIKey=ZMOVOCKFIGSIMU-VOTNUIJPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002871   
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))
BDBM50002871
PNG
(CHEMBL396987)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)C2CCC(O)CC2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1 |wU:14.27,(2.33,-4.31,;1.09,-5.24,;-.38,-4.78,;-1.27,-6.05,;-.34,-7.28,;1.12,-6.78,;2.44,-7.56,;3.79,-6.81,;5.11,-7.6,;6.45,-6.84,;7.77,-7.63,;9.12,-6.88,;9.14,-5.34,;10.48,-4.58,;11.8,-5.37,;13.15,-4.61,;14.47,-5.4,;15.81,-4.64,;15.83,-3.1,;17.14,-5.43,;17.11,-6.96,;18.43,-7.75,;19.78,-7,;21.1,-7.79,;19.8,-5.46,;18.47,-4.66,;11.79,-6.91,;13.11,-7.69,;14.45,-6.93,;15.77,-7.71,;15.76,-9.26,;14.42,-10.01,;13.09,-9.23,;11.75,-9.98,;10.42,-9.2,;11.73,-11.52,;10.39,-12.27,;10.37,-13.81,;11.69,-14.6,;13.04,-13.84,;13.05,-12.3,;7.8,-4.55,;6.47,-5.31,;-2.81,-6.07,;-3.6,-4.75,;-5.14,-4.77,;-5.89,-6.12,;-5.11,-7.44,;-3.56,-7.42,)|
Show InChI InChI=1S/C41H43N3O5/c1-28-37(44-41(49-28)32-12-6-3-7-13-32)24-25-48-35-22-16-29(17-23-35)26-33(27-42-40(47)31-18-20-34(45)21-19-31)43-38-15-9-8-14-36(38)39(46)30-10-4-2-5-11-30/h2-17,22-23,31,33-34,43,45H,18-21,24-27H2,1H3,(H,42,47)/t31?,33-,34?/m0/s1
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Similars

Article
PubMed
309n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay


Bioorg Med Chem Lett 17: 3916-20 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.04.111
BindingDB Entry DOI: 10.7270/Q2R49S33
More data for this
Ligand-Target Pair