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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 = 'BDBM412340'   
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


(Homo sapiens (Human))
BDBM412340
PNG
(US10399958, Compound 2e)
Show SMILES C\C(CCC(O)=O)=C/COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F3N2O4/c1-17(7-12-23(31)32)13-14-33-22-6-4-3-5-20(22)16-30-18(2)15-29-24(30)19-8-10-21(11-9-19)34-25(26,27)28/h3-6,8-11,13,15H,7,12,14,16H2,1-2H3,(H,31,32)/b17-13+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/an/an/a 0.300n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM412340
PNG
(US10399958, Compound 2e)
Show SMILES C\C(CCC(O)=O)=C/COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F3N2O4/c1-17(7-12-23(31)32)13-14-33-22-6-4-3-5-20(22)16-30-18(2)15-29-24(30)19-8-10-21(11-9-19)34-25(26,27)28/h3-6,8-11,13,15H,7,12,14,16H2,1-2H3,(H,31,32)/b17-13+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/an/an/a 0.200n/an/an/an/a



Mitobridge, Inc.

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10399958 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20MJ
More data for this
Ligand-Target Pair