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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50039928   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10692
PNG
(3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human AChE


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10693
PNG
(3-{[methyl({7-[(9-oxo-9H-xanthen-3-yl)oxy]heptyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C30H34N2O5/c1-31-30(34)36-24-12-10-11-22(19-24)21-32(2)17-8-4-3-5-9-18-35-23-15-16-26-28(20-23)37-27-14-7-6-13-25(27)29(26)33/h6-7,10-16,19-20H,3-5,8-9,17-18,21H2,1-2H3,(H,31,34)
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n/an/a 0.320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human AChE


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50386424
PNG
(CHEMBL2047528)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C32H36N2O5/c1-34(20-9-21-37-28-17-15-27-16-18-31(35)39-30(27)23-28)24-26-13-8-14-29(22-26)38-32(36)33-19-7-3-6-12-25-10-4-2-5-11-25/h2,4-5,8,10-11,13-18,22-23H,3,6-7,9,12,19-21,24H2,1H3,(H,33,36)
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n/an/a 1.57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins before substrate addition by Ellman's method


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50386420
PNG
(CHEMBL2047530)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)
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n/an/a 1.71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins before substrate addition by Ellman's method


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50386425
PNG
(CHEMBL2047529)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C32H43N3O6/c1-34(16-8-20-39-28-13-11-27-12-14-31(36)41-30(27)24-28)25-26-9-7-10-29(23-26)40-32(37)33-15-5-3-2-4-6-17-35-18-21-38-22-19-35/h7,9-14,23-24H,2-6,8,15-22,25H2,1H3,(H,33,37)
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n/an/a 11.2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins before substrate addition by Ellman's method


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
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n/an/a 27.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins before substrate addition by Ellman's method


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386420
PNG
(CHEMBL2047530)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386424
PNG
(CHEMBL2047528)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C32H36N2O5/c1-34(20-9-21-37-28-17-15-27-16-18-31(35)39-30(27)23-28)24-26-13-8-14-29(22-26)38-32(36)33-19-7-3-6-12-25-10-4-2-5-11-25/h2,4-5,8,10-11,13-18,22-23H,3,6-7,9,12,19-21,24H2,1H3,(H,33,36)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50386424
PNG
(CHEMBL2047528)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C32H36N2O5/c1-34(20-9-21-37-28-17-15-27-16-18-31(35)39-30(27)23-28)24-26-13-8-14-29(22-26)38-32(36)33-19-7-3-6-12-25-10-4-2-5-11-25/h2,4-5,8,10-11,13-18,22-23H,3,6-7,9,12,19-21,24H2,1H3,(H,33,36)
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n/an/a 74.9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 120 mins before substrate addition by Ellman's meth...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50386420
PNG
(CHEMBL2047530)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)
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n/an/a 89.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 120 mins before substrate addition by Ellman's meth...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10917
PNG
(3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...)
Show SMILES CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C28H30N2O5/c1-3-14-29-28(32)34-22-9-6-8-20(17-22)19-30(2)15-7-16-33-21-12-13-24-26(18-21)35-25-11-5-4-10-23(25)27(24)31/h4-6,8-13,17-18H,3,7,14-16,19H2,1-2H3,(H,29,32)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386423
PNG
(CHEMBL2047527)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C32H38N2O5/c1-3-4-5-6-9-18-33-32(36)38-26-13-10-12-24(21-26)23-34(2)19-11-20-37-25-16-17-28-30(22-25)39-29-15-8-7-14-27(29)31(28)35/h7-8,10,12-17,21-22H,3-6,9,11,18-20,23H2,1-2H3,(H,33,36)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50386425
PNG
(CHEMBL2047529)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C32H43N3O6/c1-34(16-8-20-39-28-13-11-27-12-14-31(36)41-30(27)24-28)25-26-9-7-10-29(23-26)40-32(37)33-15-5-3-2-4-6-17-35-18-21-38-22-19-35/h7,9-14,23-24H,2-6,8,15-22,25H2,1H3,(H,33,37)
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n/an/a 119n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 120 mins before substrate addition by Ellman's meth...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
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n/an/a 139n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 120 mins before substrate addition by Ellman's meth...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386424
PNG
(CHEMBL2047528)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C32H36N2O5/c1-34(20-9-21-37-28-17-15-27-16-18-31(35)39-30(27)23-28)24-26-13-8-14-29(22-26)38-32(36)33-19-7-3-6-12-25-10-4-2-5-11-25/h2,4-5,8,10-11,13-18,22-23H,3,6-7,9,12,19-21,24H2,1H3,(H,33,36)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386419
PNG
(CHEMBL2047526)
Show SMILES CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C31H36N2O5/c1-3-4-5-8-17-32-31(35)37-25-12-9-11-23(20-25)22-33(2)18-10-19-36-24-15-16-27-29(21-24)38-28-14-7-6-13-26(28)30(27)34/h6-7,9,11-16,20-21H,3-5,8,10,17-19,22H2,1-2H3,(H,32,35)
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 301n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 90 mins before substrate addition by Ellman's method


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386420
PNG
(CHEMBL2047530)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50386420
PNG
(CHEMBL2047530)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C35H37N3O5/c1-38(21-10-22-41-28-17-18-30-32(24-28)43-34-31(33(30)39)16-9-20-36-34)25-27-14-8-15-29(23-27)42-35(40)37-19-7-3-6-13-26-11-4-2-5-12-26/h2,4-5,8-9,11-12,14-18,20,23-24H,3,6-7,10,13,19,21-22,25H2,1H3,(H,37,40)
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n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10930
PNG
(3-{[methyl({3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy...)
Show SMILES CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
Show InChI InChI=1S/C31H34N2O5/c1-3-4-16-32-31(35)37-26-13-8-10-23(19-26)22-33(2)17-9-18-36-25-14-15-27-28(34)21-29(38-30(27)20-25)24-11-6-5-7-12-24/h5-8,10-15,19-21H,3-4,9,16-18,22H2,1-2H3,(H,32,35)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10921
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C28H31N3O5/c1-3-4-13-30-28(33)35-22-9-5-8-20(17-22)19-31(2)15-7-16-34-21-11-12-23-25(18-21)36-27-24(26(23)32)10-6-14-29-27/h5-6,8-12,14,17-18H,3-4,7,13,15-16,19H2,1-2H3,(H,30,33)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 90 mins before substrate addition by Ellman's metho...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386425
PNG
(CHEMBL2047529)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C32H43N3O6/c1-34(16-8-20-39-28-13-11-27-12-14-31(36)41-30(27)24-28)25-26-9-7-10-29(23-26)40-32(37)33-15-5-3-2-4-6-17-35-18-21-38-22-19-35/h7,9-14,23-24H,2-6,8,15-22,25H2,1H3,(H,33,37)
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n/an/a 1.82E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
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n/an/a 2.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50386424
PNG
(CHEMBL2047528)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C32H36N2O5/c1-34(20-9-21-37-28-17-15-27-16-18-31(35)39-30(27)23-28)24-26-13-8-14-29(22-26)38-32(36)33-19-7-3-6-12-25-10-4-2-5-11-25/h2,4-5,8,10-11,13-18,22-23H,3,6-7,9,12,19-21,24H2,1H3,(H,33,36)
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n/an/a 2.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
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n/an/a 2.71E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386423
PNG
(CHEMBL2047527)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C32H38N2O5/c1-3-4-5-6-9-18-33-32(36)38-26-13-10-12-24(21-26)23-34(2)19-11-20-37-25-16-17-28-30(22-25)39-29-15-8-7-14-27(29)31(28)35/h7-8,10,12-17,21-22H,3-6,9,11,18-20,23H2,1-2H3,(H,33,36)
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n/an/a 3.62E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10921
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C28H31N3O5/c1-3-4-13-30-28(33)35-22-9-5-8-20(17-22)19-31(2)15-7-16-34-21-11-12-23-25(18-21)36-27-24(26(23)32)10-6-14-29-27/h5-6,8-12,14,17-18H,3-4,7,13,15-16,19H2,1-2H3,(H,30,33)
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n/an/a 4.23E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386419
PNG
(CHEMBL2047526)
Show SMILES CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C31H36N2O5/c1-3-4-5-8-17-32-31(35)37-25-12-9-11-23(20-25)22-33(2)18-10-19-36-24-15-16-27-29(21-24)38-28-14-7-6-13-26(28)30(27)34/h6-7,9,11-16,20-21H,3-5,8,10,17-19,22H2,1-2H3,(H,32,35)
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n/an/a 4.29E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
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n/an/a 4.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10930
PNG
(3-{[methyl({3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy...)
Show SMILES CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
Show InChI InChI=1S/C31H34N2O5/c1-3-4-16-32-31(35)37-26-13-8-10-23(19-26)22-33(2)17-9-18-36-25-14-15-27-28(34)21-29(38-30(27)20-25)24-11-6-5-7-12-24/h5-8,10-15,19-21H,3-4,9,16-18,22H2,1-2H3,(H,32,35)
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n/an/a 5.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386425
PNG
(CHEMBL2047529)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C32H43N3O6/c1-34(16-8-20-39-28-13-11-27-12-14-31(36)41-30(27)24-28)25-26-9-7-10-29(23-26)40-32(37)33-15-5-3-2-4-6-17-35-18-21-38-22-19-35/h7,9-14,23-24H,2-6,8,15-22,25H2,1H3,(H,33,37)
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n/an/a 5.59E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10931
PNG
(3-{[methyl({3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
Show InChI InChI=1S/C34H40N2O5/c1-3-4-5-6-10-19-35-34(38)40-29-16-11-13-26(22-29)25-36(2)20-12-21-39-28-17-18-30-31(37)24-32(41-33(30)23-28)27-14-8-7-9-15-27/h7-9,11,13-18,22-24H,3-6,10,12,19-21,25H2,1-2H3,(H,35,38)
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n/an/a 6.81E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10924
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C25H30N2O5/c1-3-4-13-26-25(29)31-22-8-5-7-19(16-22)18-27(2)14-6-15-30-21-11-9-20-10-12-24(28)32-23(20)17-21/h5,7-12,16-17H,3-4,6,13-15,18H2,1-2H3,(H,26,29)
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n/an/a 8.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50386421
PNG
(CHEMBL2047525)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(cc2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C32H36N2O5/c1-33-32(36)38-28-13-10-11-24(21-28)23-34(2)19-8-4-3-5-9-20-37-27-17-15-25(16-18-27)29-22-26-12-6-7-14-30(26)39-31(29)35/h6-7,10-18,21-22H,3-5,8-9,19-20,23H2,1-2H3,(H,33,36)
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n/an/a 9.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10917
PNG
(3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...)
Show SMILES CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C28H30N2O5/c1-3-14-29-28(32)34-22-9-6-8-20(17-22)19-30(2)15-7-16-33-21-12-13-24-26(18-21)35-25-11-5-4-10-23(25)27(24)31/h4-6,8-13,17-18H,3,7,14-16,19H2,1-2H3,(H,29,32)
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n/an/a 9.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50386425
PNG
(CHEMBL2047529)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C32H43N3O6/c1-34(16-8-20-39-28-13-11-27-12-14-31(36)41-30(27)24-28)25-26-9-7-10-29(23-26)40-32(37)33-15-5-3-2-4-6-17-35-18-21-38-22-19-35/h7,9-14,23-24H,2-6,8,15-22,25H2,1H3,(H,33,37)
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n/an/a 1.48E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50386426
PNG
(CHEMBL2047531)
Show SMILES CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
Show InChI InChI=1S/C35H44N4O6/c1-38(17-9-21-43-28-13-14-30-32(25-28)45-34-31(33(30)40)12-8-16-36-34)26-27-10-7-11-29(24-27)44-35(41)37-15-5-3-2-4-6-18-39-19-22-42-23-20-39/h7-8,10-14,16,24-25H,2-6,9,15,17-23,26H2,1H3,(H,37,41)
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n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair