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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50041756   
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=1S/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=1S/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))
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))
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))
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))
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))
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=1S/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))
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))
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))
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))
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
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))
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
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))
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))
BDBM50414951
PNG
(CHEMBL578805 | US11753371, Compound II-2h)
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
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
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50414941
PNG
(CHEMBL570572)
Show SMILES S=C(SSC(=S)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N4S4/c29-23(27-15-11-25(12-16-27)19-21-7-3-1-4-8-21)31-32-24(30)28-17-13-26(14-18-28)20-22-9-5-2-6-10-22/h1-10H,11-20H2
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n/an/a 5.01E+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))
BDBM50128581
PNG
(Biphenyl-3-yl-carbamic acid cyclohexyl ester | CHE...)
Show SMILES O=C(Nc1cccc(c1)-c1ccccc1)OC1CCCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
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n/an/a 5.75E+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))
BDBM50414925
PNG
(CHEMBL571701)
Show SMILES CN(C)C(=S)SC(=S)N1CCOCC1
Show InChI InChI=1S/C8H14N2OS3/c1-9(2)7(12)14-8(13)10-3-5-11-6-4-10/h3-6H2,1-2H3
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n/an/a 6.46E+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))
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 6.46E+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))
BDBM50414945
PNG
(CHEMBL583000)
Show SMILES S=C(SSC(=S)N1CCC(Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32N2S4/c29-25(27-15-11-23(12-16-27)19-21-7-3-1-4-8-21)31-32-26(30)28-17-13-24(14-18-28)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2
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n/an/a 6.92E+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))
BDBM50414922
PNG
(CHEMBL570577)
Show SMILES CCN(CC)SSN(CC)CC
Show InChI InChI=1S/C8H20N2S2/c1-5-9(6-2)11-12-10(7-3)8-4/h5-8H2,1-4H3
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n/an/a 7.94E+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))
BDBM50414923
PNG
(CHEMBL573921)
Show SMILES C1CCN(CC1)SSN1CCCCC1
Show InChI InChI=1S/C10H20N2S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H2
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n/an/a 9.55E+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))
BDBM50414936
PNG
(CHEMBL120082 | NSC-608475 | US11753371, Compound I...)
Show SMILES S=C(SSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
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n/an/a 9.55E+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))
BDBM50128581
PNG
(Biphenyl-3-yl-carbamic acid cyclohexyl ester | CHE...)
Show SMILES O=C(Nc1cccc(c1)-c1ccccc1)OC1CCCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
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n/an/a 1.00E+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))
BDBM50414935
PNG
(CHEMBL567397)
Show SMILES CCCCCCCCCCCCCCCCN(CC)C(=S)SSC(=S)N(CC)CCCCCCCCCCCCCC
Show InChI InChI=1S/C36H72N2S4/c1-5-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(8-4)36(40)42-41-35(39)37(7-3)33-31-29-27-25-23-20-18-16-14-12-10-6-2/h5-34H2,1-4H3
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n/an/a 1.05E+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))
BDBM50414924
PNG
(DITHIODIMORPHOLINE)
Show SMILES C1CN(CCO1)SSN1CCOCC1
Show InChI InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
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n/an/a 1.12E+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))
BDBM50414949
PNG
(CHEMBL571700)
Show SMILES CN(C)C(=S)SC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3
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n/an/a 1.23E+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))
BDBM50414926
PNG
(CHEMBL583322)
Show SMILES S=C(CSC(=S)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C11H18N2O2S3/c16-10(12-1-5-14-6-2-12)9-18-11(17)13-3-7-15-8-4-13/h1-9H2
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n/an/a 1.55E+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
Aldehyde dehydrogenase, mitochondrial


(Rattus norvegicus)
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 1.58E+4n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat ALDH activity in liver mitochondria


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))
BDBM50414927
PNG
(CHEMBL582931)
Show SMILES CCN(CC)C(=S)CSC(=S)N(CC)CC
Show InChI InChI=1S/C11H22N2S3/c1-5-12(6-2)10(14)9-16-11(15)13(7-3)8-4/h5-9H2,1-4H3
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n/an/a 1.91E+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))
BDBM50414934
PNG
(CHEMBL570813)
Show SMILES CCN(CC)C(=S)SCSC(=S)N(CC)CC
Show InChI InChI=1S/C11H22N2S4/c1-5-12(6-2)10(14)16-9-17-11(15)13(7-3)8-4/h5-9H2,1-4H3
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n/an/a 2.09E+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
Fatty-acid amide hydrolase 1


(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 2.51E+4n/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
Fatty-acid amide hydrolase 1


(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 3.39E+4n/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
Aldehyde dehydrogenase, mitochondrial


(Rattus norvegicus)
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 3.98E+4n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat ALDH activity in liver mitochondria


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))
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 4.47E+4n/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
Fatty-acid amide hydrolase 1


(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 7.94E+4n/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))
BDBM50414932
PNG
(CHEMBL570228)
Show SMILES CN1CCN(CC1)C(=S)SCSC(=S)N1CCN(C)CC1
Show InChI InChI=1S/C13H24N4S4/c1-14-3-7-16(8-4-14)12(18)20-11-21-13(19)17-9-5-15(2)6-10-17/h3-11H2,1-2H3
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n/an/a 9.55E+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
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