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BDBM50295049 (E)-10-nitrooctadec-9-enoic acid::CHEMBL561371

SMILES: CCCCCCCC\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O

InChI Key: InChIKey=WRADPCFZZWXOTI-BMRADRMJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295049   
Target
(Institution)
LigandTarget
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))
BDBM50295049
PNG
((E)-10-nitrooctadec-9-enoic acid | CHEMBL561371)
Show SMILES CCCCCCCC\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Displacement of [3H2]nTZD3 from GST-tagged human recombinant PPARalpha by scintillation proximity assay


J Med Chem 52: 4631-9 (2009)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50295049
PNG
((E)-10-nitrooctadec-9-enoic acid | CHEMBL561371)
Show SMILES CCCCCCCC\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.61E+3n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Displacement of [3H2]nTZD3 from GST-tagged human recombinant PPARgamma by scintillation proximity assay


J Med Chem 52: 4631-9 (2009)

More data for this
Ligand-Target Pair