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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1 [30-579]' and Ligand = 'BDBM50307794'   
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 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat cerebellum membranes pre-incubated for 10 mins before addition of [3H]AEA substrate in presence of ethyl alc...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
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PC sid
UniChem
Article
PubMed
n/an/a 520n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
PDB
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/an/an/an/a7.04



Umeå University



Assay Description
Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....


J Enzyme Inhib Med Chem 28: 172-82 (2013)


Article DOI: 10.3109/14756366.2011.643304
BindingDB Entry DOI: 10.7270/Q2BG2MWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
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PC sid
UniChem
Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid scintillation spectroscopy


J Med Chem 53: 2286-98 (2010)


Article DOI: 10.1021/jm901891p
BindingDB Entry DOI: 10.7270/Q2833S4K
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid ...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair