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BDBM50403046 CHEMBL2216772

SMILES: CCCCc1ccc(NC(=O)OCCN2CCCCC2CC(C2CCCCC2)C2CCCCC2)cc1

InChI Key: InChIKey=PSYFEFFNOUUVDE-UHFFFAOYSA-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 = 50403046   
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
Carnitine palmitoyltransferase 1A


(Rattus norvegicus)
BDBM50403046
PNG
(CHEMBL2216772)
Show SMILES CCCCc1ccc(NC(=O)OCCN2CCCCC2CC(C2CCCCC2)C2CCCCC2)cc1
Show InChI InChI=1S/C32H52N2O2/c1-2-3-12-26-18-20-29(21-19-26)33-32(35)36-24-23-34-22-11-10-17-30(34)25-31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h18-21,27-28,30-31H,2-17,22-25H2,1H3,(H,33,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CPT1A


J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Carnitine palmitoyltransferase 2


(Rattus norvegicus)
BDBM50403046
PNG
(CHEMBL2216772)
Show SMILES CCCCc1ccc(NC(=O)OCCN2CCCCC2CC(C2CCCCC2)C2CCCCC2)cc1
Show InChI InChI=1S/C32H52N2O2/c1-2-3-12-26-18-20-29(21-19-26)33-32(35)36-24-23-34-22-11-10-17-30(34)25-31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h18-21,27-28,30-31H,2-17,22-25H2,1H3,(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CPT2


J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair