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BDBM50373908 CHEMBL407950

SMILES: Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1C

InChI Key: InChIKey=ZRIUBGGKVAZEKR-NBEIKUQISA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373908   
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 alpha (PPAR alpha)


(Homo sapiens (Human))		BDBM50373908
PNG
(CHEMBL407950)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1C |wU:10.10,13.18,wD:13.14,(-2.86,-23.46,;-4.11,-24.36,;-5.57,-23.88,;-6.48,-25.13,;-5.58,-26.38,;-4.11,-25.9,;-2.87,-26.81,;-1.46,-26.19,;-.21,-27.09,;1.2,-26.47,;2.44,-27.38,;3.84,-26.75,;5.08,-27.66,;4.92,-29.19,;5.3,-30.68,;3.5,-29.81,;2.27,-28.9,;6.39,-28.79,;7.49,-29.86,;6.78,-27.3,;-8.02,-25.14,;-8.78,-23.81,;-10.31,-23.8,;-11.09,-25.13,;-10.33,-26.46,;-8.8,-26.47,;-8.03,-27.81,)|
Show InChI InChI=1S/C21H27NO5/c1-14-8-4-6-10-17(14)19-22-18(15(2)27-19)11-7-5-9-16-12-25-21(3,20(23)24)26-13-16/h4,6,8,10,16H,5,7,9,11-13H2,1-3H3,(H,23,24)/t16-,21+
PDB

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Similars
Article
PubMed
n/an/an/an/a 300n/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