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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'kapanda' and Initial = 'cn'   
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))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 0.331n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-maltose binding protein


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50059523
PNG
((6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 12.3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-maltose binding protein


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414921
PNG
(CHEMBL570812)
Show SMILES COc1nn(-c2ccc(NC(=O)OCc3ccccc3)c(C)c2)c(=O)o1
Show InChI InChI=1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
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n/an/a 20.4n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 26.3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 38.0n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-maltose binding protein


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 55.0n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50414921
PNG
(CHEMBL570812)
Show SMILES COc1nn(-c2ccc(NC(=O)OCc3ccccc3)c(C)c2)c(=O)o1
Show InChI InChI=1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
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n/an/a 77.6n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-maltose binding protein


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414919
PNG
(CHEMBL571699)
Show SMILES CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1
Show InChI InChI=1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414940
PNG
(CHEMBL576697)
Show SMILES CN(C1CCCCC1)C(=S)SSC(=S)N(C)C1CCCCC1
Show InChI InChI=1S/C16H28N2S4/c1-17(13-9-5-3-6-10-13)15(19)21-22-16(20)18(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
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n/an/a 141n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393668
PNG
(CHEMBL2158989)
Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)C(=S)Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H26N4O4S2/c1-22(2,3)17-6-4-16(5-7-17)15-23-10-12-24(13-11-23)21(31)32-20-9-8-18(25(27)28)14-19(20)26(29)30/h4-9,14H,10-13,15H2,1-3H3
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n/an/a 155n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414953
PNG
(CHEMBL570565)
Show SMILES S=C(SSC(=S)N1CCN(CC1)C1CCCCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H38N4S4/c27-21(25-15-11-23(12-16-25)19-7-3-1-4-8-19)29-30-22(28)26-17-13-24(14-18-26)20-9-5-2-6-10-20/h19-20H,1-18H2
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n/an/a 166n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414944
PNG
(CHEMBL121556 | NSC-402538)
Show SMILES S=C(SSC(=S)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
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n/an/a 219n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414947
PNG
(CHEMBL576671)
Show SMILES CC1CCN(CC1)C(=S)SSC(=S)N1CCC(C)CC1
Show InChI InChI=1S/C14H24N2S4/c1-11-3-7-15(8-4-11)13(17)19-20-14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3
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n/an/a 269n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414948
PNG
(CHEMBL121516 | NSC-527035)
Show SMILES S=C(SSC(=S)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2
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n/an/a 316n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414943
PNG
(CHEMBL573920)
Show SMILES S=C(SSC(=S)N1CCSCC1)N1CCSCC1
Show InChI InChI=1S/C10H16N2S6/c13-9(11-1-5-15-6-2-11)17-18-10(14)12-3-7-16-8-4-12/h1-8H2
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n/an/a 316n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414937
PNG
(CHEMBL583524)
Show SMILES S=C(SSC(=S)N1CCc2ccccc2C1)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H20N2S4/c23-19(21-11-9-15-5-1-3-7-17(15)13-21)25-26-20(24)22-12-10-16-6-2-4-8-18(16)14-22/h1-8H,9-14H2
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n/an/a 347n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393684
PNG
(CHEMBL2158918)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(CC2)C(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N4O4S2/c29-27(30)20-11-12-22(21(17-20)28(31)32)34-24(33)26-15-13-25(14-16-26)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2
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n/an/a 355n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393704
PNG
(CHEMBL2158988)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(Cc3ccc(Br)cc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17BrN4O4S2/c19-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)18(28)29-17-6-5-15(22(24)25)11-16(17)23(26)27/h1-6,11H,7-10,12H2
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n/an/a 437n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414938
PNG
(CHEMBL571274)
Show SMILES CN(Cc1ccccc1)C(=S)SSC(=S)N(C)Cc1ccccc1
Show InChI InChI=1S/C18H20N2S4/c1-19(13-15-9-5-3-6-10-15)17(21)23-24-18(22)20(2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
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n/an/a 437n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414946
PNG
(CHEMBL571273)
Show SMILES CC1CCCC(C)N1C(=S)SSC(=S)N1C(C)CCCC1C
Show InChI InChI=1/C16H28N2S4/c1-11-7-5-8-12(2)17(11)15(19)21-22-16(20)18-13(3)9-6-10-14(18)4/h11-14H,5-10H2,1-4H3
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n/an/a 479n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414942
PNG
(CHEMBL569626)
Show SMILES S=C(SSC(=S)N1CCN(CC1)c1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H26N4S4/c27-21(25-15-11-23(12-16-25)19-7-3-1-4-8-19)29-30-22(28)26-17-13-24(14-18-26)20-9-5-2-6-10-20/h1-10H,11-18H2
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n/an/a 490n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414952
PNG
(CHEMBL570804)
Show SMILES CN(C(=S)SSC(=S)N(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H16N2S4/c1-17(13-9-5-3-6-10-13)15(19)21-22-16(20)18(2)14-11-7-4-8-12-14/h3-12H,1-2H3
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n/an/a 741n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414939
PNG
(CHEMBL570340)
Show SMILES S=C(SSC(=S)N1CCCc2ccccc12)N1CCCc2ccccc12
Show InChI InChI=1S/C20H20N2S4/c23-19(21-13-5-9-15-7-1-3-11-17(15)21)25-26-20(24)22-14-6-10-16-8-2-4-12-18(16)22/h1-4,7-8,11-12H,5-6,9-10,13-14H2
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n/an/a 741n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393702
PNG
(CHEMBL2158986)
Show SMILES CC(N1CCN(CC1)C(=S)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1/C19H20N4O4S2/c1-14(15-5-3-2-4-6-15)20-9-11-21(12-10-20)19(28)29-18-8-7-16(22(24)25)13-17(18)23(26)27/h2-8,13-14H,9-12H2,1H3
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n/an/a 813n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414950
PNG
(CHEMBL585179)
Show SMILES S=C(SSC(=S)N1CCCCCC1)N1CCCCCC1
Show InChI InChI=1S/C14H24N2S4/c17-13(15-9-5-1-2-6-10-15)19-20-14(18)16-11-7-3-4-8-12-16/h1-12H2
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n/an/a 813n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393700
PNG
(CHEMBL2158984)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCC(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O4S2/c23-21(24)16-6-7-18(17(13-16)22(25)26)28-19(27)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
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n/an/a 832n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50361476
PNG
(CHEMBL583959)
Show SMILES S=C(SSC(=S)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C10H16N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H2
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n/an/a 912n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393694
PNG
(CHEMBL2158928)
Show SMILES CN(Cc1ccccc1)C(=S)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O4S2/c1-16(10-11-5-3-2-4-6-11)15(23)24-14-8-7-12(17(19)20)9-13(14)18(21)22/h2-9H,10H2,1H3
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n/an/a 933n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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n/an/a 977n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393701
PNG
(CHEMBL2158985)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(C\C=C\c3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O4S2/c25-23(26)17-8-9-19(18(15-17)24(27)28)30-20(29)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
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n/an/a 977n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393699
PNG
(CHEMBL2158983)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N4O4S2/c23-21(24)15-6-7-17(16(12-15)22(25)26)28-18(27)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414920
PNG
(CHEMBL571495)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCN1C(=O)CCC1=O
Show InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 1.12E+3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393704
PNG
(CHEMBL2158988)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(Cc3ccc(Br)cc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17BrN4O4S2/c19-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)18(28)29-17-6-5-15(22(24)25)11-16(17)23(26)27/h1-6,11H,7-10,12H2
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n/an/a 1.15E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393668
PNG
(CHEMBL2158989)
Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)C(=S)Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H26N4O4S2/c1-22(2,3)17-6-4-16(5-7-17)15-23-10-12-24(13-11-23)21(31)32-20-9-8-18(25(27)28)14-19(20)26(29)30/h4-9,14H,10-13,15H2,1-3H3
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n/an/a 1.74E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393685
PNG
(CHEMBL2158919)
Show SMILES CN1CCN(CC1)C(=S)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C12H14N4O4S2/c1-13-4-6-14(7-5-13)12(21)22-11-3-2-9(15(17)18)8-10(11)16(19)20/h2-3,8H,4-7H2,1H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393703
PNG
(CHEMBL2158987)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N4O4S2/c29-27(30)21-10-11-23(22(16-21)28(31)32)34-24(33)26-14-12-25(13-15-26)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393700
PNG
(CHEMBL2158984)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCC(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O4S2/c23-21(24)16-6-7-18(17(13-16)22(25)26)28-19(27)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393693
PNG
(CHEMBL2158927)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N(C2CCCCC2)C2CCCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H25N3O4S2/c23-21(24)16-11-12-18(17(13-16)22(25)26)28-19(27)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15H,1-10H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393694
PNG
(CHEMBL2158928)
Show SMILES CN(Cc1ccccc1)C(=S)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O4S2/c1-16(10-11-5-3-2-4-6-11)15(23)24-14-8-7-12(17(19)20)9-13(14)18(21)22/h2-9H,10H2,1H3
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n/an/a 2.19E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50414920
PNG
(CHEMBL571495)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCN1C(=O)CCC1=O
Show InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 2.19E+3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-maltose binding protein


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393688
PNG
(CHEMBL2158922)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H13N3O4S2/c16-14(17)9-4-5-11(10(8-9)15(18)19)21-12(20)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393703
PNG
(CHEMBL2158987)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N4O4S2/c29-27(30)21-10-11-23(22(16-21)28(31)32)34-24(33)26-14-12-25(13-15-26)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2
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n/an/a 2.57E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393692
PNG
(CHEMBL2158926)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H13N3O4S2/c23-21(24)16-11-12-18(17(13-16)22(25)26)28-19(27)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
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n/an/a 2.63E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393698
PNG
(CHEMBL2158982)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCN(CC2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O4S2/c22-20(23)14-6-7-16(15(12-14)21(24)25)27-17(26)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2
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n/an/a 2.75E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393691
PNG
(CHEMBL2158925)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O4S2/c15-13(16)8-3-4-10(9(7-8)14(17)18)20-11(19)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393689
PNG
(CHEMBL2158923)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCSCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O4S3/c15-13(16)8-1-2-10(9(7-8)14(17)18)21-11(19)12-3-5-20-6-4-12/h1-2,7H,3-6H2
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n/an/a 3.72E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414951
PNG
(CHEMBL578805)
Show SMILES CCN(Cc1ccccc1)C(=S)SSC(=S)N(CC)Cc1ccccc1
Show InChI InChI=1S/C20H24N2S4/c1-3-21(15-17-11-7-5-8-12-17)19(23)25-26-20(24)22(4-2)16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
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n/an/a 4.07E+3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393686
PNG
(CHEMBL2158920)
Show SMILES [O-][N+](=O)c1ccc(SC(=S)N2CCOCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O5S2/c15-13(16)8-1-2-10(9(7-8)14(17)18)21-11(20)12-3-5-19-6-4-12/h1-2,7H,3-6H2
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n/an/a 4.27E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter


J Med Chem 55: 5774-83 (2012)


Article DOI: 10.1021/jm3006004
BindingDB Entry DOI: 10.7270/Q2TD9ZF1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50414940
PNG
(CHEMBL576697)
Show SMILES CN(C1CCCCC1)C(=S)SSC(=S)N(C)C1CCCCC1
Show InChI InChI=1S/C16H28N2S4/c1-17(13-9-5-3-6-10-13)15(19)21-22-16(20)18(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
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n/an/a 4.79E+3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-maltose binding protein


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair
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