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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1' and Ligand = 'BDBM60622'   
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))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAAH expressed in Cos7 cells after 30 mins by using anandamide as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Louvain Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human FAAH


J Med Chem 52: 7410-20 (2009)


Article DOI: 10.1021/jm900461w
BindingDB Entry DOI: 10.7270/Q2TM7B59
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in C57B1/6J mouse brain membrane after 20 mins by using oleamide as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Nat Chem Biol 5: 8-9 (2008)


Article DOI: 10.1038/nchembio0109-8
BindingDB Entry DOI: 10.7270/Q24M94R0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane using oleamide as substrate preincubated for 30 mins


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.69E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.69E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem 20: 6260-75 (2012)


Article DOI: 10.1016/j.bmc.2012.09.011
BindingDB Entry DOI: 10.7270/Q2W37XDX
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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US Patent
n/an/a 4.70E+3n/an/an/an/an/a37



The Scripps Research Institute; Abide Therapeutics, Inc.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 uL, 1.0 mg/mL total protein concentration) were preincubated with varying concentration...


US Patent US9133148 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4PR0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane using [13C]oleamide as substrate by LC-MS analysis


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a>1.10E+4n/an/an/an/an/an/a



Pfizer Worldwide Research and Development , 610 Main Street , Cambridge , Massachusetts 02139 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using fluorogenic arachidonoyl-AMC as substrate preincubated for 30 mins followed by substrate addition measured...


J Med Chem 61: 3008-3026 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00070
BindingDB Entry DOI: 10.7270/Q2S46VD4
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 3.63E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as [3H]-AEA hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liq...


Bioorg Med Chem 20: 6260-75 (2012)


Article DOI: 10.1016/j.bmc.2012.09.011
BindingDB Entry DOI: 10.7270/Q2W37XDX
More data for this
Ligand-Target Pair