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BDBM50403035 OXFENICINE

SMILES: N[C@H](C(O)=O)c1ccc(O)cc1

InChI Key: InChIKey=LJCWONGJFPCTTL-ZETCQYMHSA-N

Data: 3 IC50

PDB links: 4 PDB IDs match this monomer.

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 3 hits for monomerid = 50403035   
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 2


(Homo sapiens)
BDBM50403035
PNG
(OXFENICINE)
Show SMILES N[C@H](C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CPT2


J Med Chem 54: 3109-52 (2011)

More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Homo sapiens)
BDBM50403035
PNG
(OXFENICINE)
Show SMILES N[C@H](C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CPT1A


J Med Chem 54: 3109-52 (2011)

More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Homo sapiens)
BDBM50403035
PNG
(OXFENICINE)
Show SMILES N[C@H](C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CPT1B


J Med Chem 54: 3109-52 (2011)

More data for this
Ligand-Target Pair