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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50373906'   
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 alpha


(Homo sapiens (Human))
BDBM50373906
PNG
(CHEMBL272175)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1C |wU:10.10,13.18,wD:13.14,(-2.98,-30.92,;-4.23,-31.82,;-5.7,-31.34,;-6.6,-32.59,;-5.7,-33.83,;-4.23,-33.36,;-2.99,-34.27,;-1.58,-33.64,;-.34,-34.55,;1.07,-33.93,;2.31,-34.83,;3.71,-34.2,;4.96,-35.12,;4.79,-36.65,;5.18,-38.13,;3.38,-37.27,;2.14,-36.36,;6.27,-36.24,;7.36,-37.32,;6.66,-34.76,;-8.14,-32.59,;-8.91,-31.27,;-10.44,-31.26,;-11.22,-32.59,;-12.76,-32.58,;-10.46,-33.92,;-8.92,-33.93,;-8.15,-35.26,)|
Show InChI InChI=1S/C22H29NO5/c1-14-9-10-18(15(2)11-14)20-23-19(16(3)28-20)8-6-5-7-17-12-26-22(4,21(24)25)27-13-17/h9-11,17H,5-8,12-13H2,1-4H3,(H,24,25)/t17-,22+
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair