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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1' and Ligand = 'BDBM50069269'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
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Article
PubMed
800n/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))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
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800n/an/an/an/an/an/a9.0n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
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Article
PubMed
800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
BindingDB Entry DOI: 10.7270/Q2J96753
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
PDB

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n/an/a 2.60E+3n/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))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 3.10E+3n/an/an/an/a7.0n/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