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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50539514'   
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 delta


(Mus musculus)
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.90n/an/an/an/a


TBA

Assay Description
Modulator activity at mouse PPARdelta


Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00287
BindingDB Entry DOI: 10.7270/Q2H998WR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.400n/an/an/an/a


TBA

Assay Description
Modulator activity at GAL4-fused human PPARdelta LBD (128 to residue at C-terminus) transfected in African green monkey CV1 cells assessed as recepto...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00287
BindingDB Entry DOI: 10.7270/Q2H998WR
More data for this
Ligand-Target Pair