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BDBM50069276 4-Bromo-3-oxo-butyric acid (Z)-tetradec-5-enyl ester::CHEMBL414450

SMILES: CCCCCCCC\C=C/CCCCOC(=O)CC(=O)CBr

InChI Key: InChIKey=YMKIERTYDNQXGN-KTKRTIGZSA-N

Data: 2 KI  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 4 hits for monomerid = 50069276   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069276
PNG
(4-Bromo-3-oxo-butyric acid (Z)-tetradec-5-enyl est...)
Show SMILES CCCCCCCC\C=C/CCCCOC(=O)CC(=O)CBr
Show InChI InChI=1S/C18H31BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-18(21)15-17(20)16-19/h9-10H,2-8,11-16H2,1H3/b10-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
190n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against Fatty-acid amide hydrolase (FAAH) at pH 9.0


Bioorg Med Chem Lett 8: 613-8 (1999)


BindingDB Entry DOI: 10.7270/Q2HH6J61
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069276
PNG
(4-Bromo-3-oxo-butyric acid (Z)-tetradec-5-enyl est...)
Show SMILES CCCCCCCC\C=C/CCCCOC(=O)CC(=O)CBr
Show InChI InChI=1S/C18H31BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-18(21)15-17(20)16-19/h9-10H,2-8,11-16H2,1H3/b10-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH assessed as conversion [14]C-oleamide to oleic acid by Scintillation counting at pH 9


Bioorg Med Chem Lett 21: 4674-85 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.096
BindingDB Entry DOI: 10.7270/Q2W959JK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069276
PNG
(4-Bromo-3-oxo-butyric acid (Z)-tetradec-5-enyl est...)
Show SMILES CCCCCCCC\C=C/CCCCOC(=O)CC(=O)CBr
Show InChI InChI=1S/C18H31BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-18(21)15-17(20)16-19/h9-10H,2-8,11-16H2,1H3/b10-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) at pH 9.0


Bioorg Med Chem Lett 8: 613-8 (1999)


BindingDB Entry DOI: 10.7270/Q2HH6J61
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069276
PNG
(4-Bromo-3-oxo-butyric acid (Z)-tetradec-5-enyl est...)
Show SMILES CCCCCCCC\C=C/CCCCOC(=O)CC(=O)CBr
Show InChI InChI=1S/C18H31BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-18(21)15-17(20)16-19/h9-10H,2-8,11-16H2,1H3/b10-9-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+3n/an/an/an/a7.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Fatty-acid amide hydrolase (FAAH) at pH 7.0


Bioorg Med Chem Lett 8: 613-8 (1999)


BindingDB Entry DOI: 10.7270/Q2HH6J61
More data for this
Ligand-Target Pair