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PubMed code 25011912

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50394389
PNG
(CHEMBL2159798)
Show SMILES O=C(N1CCN(Cc2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C18H19N5O/c24-18(23-17-9-5-4-8-16(17)19-20-23)22-12-10-21(11-13-22)14-15-6-2-1-3-7-15/h1-9H,10-14H2
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n/an/a 8n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50394371
PNG
(CHEMBL2159779)
Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C22H21N5O/c28-22(27-21-8-4-3-7-20(21)23-24-27)26-13-11-25(12-14-26)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-10,15H,11-14,16H2
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n/an/a 9n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50394384
PNG
(CHEMBL2159803)
Show SMILES Brc1ccc(CN2CCN(CC2)C(=O)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C18H18BrN5O/c19-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)18(25)24-17-4-2-1-3-16(17)20-21-24/h1-8H,9-13H2
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n/an/a 9n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50049456
PNG
(CHEMBL3318318)
Show SMILES O=C(Cn1nnc2ccccc12)Nc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H15N5OS/c27-20(13-26-18-7-3-1-5-16(18)24-25-26)22-15-11-9-14(10-12-15)21-23-17-6-2-4-8-19(17)28-21/h1-12H,13H2,(H,22,27)
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n/an/a 10n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50394383
PNG
(CHEMBL2159804)
Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)C(=O)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C18H18N6O3/c25-18(23-17-4-2-1-3-16(17)19-20-23)22-11-9-21(10-12-22)13-14-5-7-15(8-6-14)24(26)27/h1-8H,9-13H2
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n/an/a 12n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(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 20n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50394388
PNG
(CHEMBL2159799)
Show SMILES O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C20H21N5O/c26-20(25-19-11-5-4-10-18(19)21-22-25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
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n/an/a 33n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50049457
PNG
(CHEMBL3318317)
Show SMILES Cc1cc(C)cc(NC(=O)[C@H]2CN(CCc3c[nH]c4ccc(F)cc34)C(=O)C2)c1
Show InChI InChI=1S/C23H24FN3O2/c1-14-7-15(2)9-19(8-14)26-23(29)17-10-22(28)27(13-17)6-5-16-12-25-21-4-3-18(24)11-20(16)21/h3-4,7-9,11-12,17,25H,5-6,10,13H2,1-2H3,(H,26,29)/t17-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50049459
PNG
(CHEMBL3318314)
Show SMILES Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-13-7-8-16(9-14(13)2)26-12-15(10-20(26)27)21(28)23-11-19-17-5-3-4-6-18(17)22(29)25-24-19/h3-9,15H,10-12H2,1-2H3,(H,23,28)(H,25,29)/t15-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50049458
PNG
(CHEMBL3318316)
Show SMILES C[C@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C23H29FN4O3/c1-14-4-2-3-5-18(14)26-21(29)9-8-20-22(30)28(23(31)27-20)11-10-15-13-25-19-7-6-16(24)12-17(15)19/h6-7,12-14,18,20,25H,2-5,8-11H2,1H3,(H,26,29)(H,27,31)/t14-,18-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50049454
PNG
(CHEMBL3318320)
Show SMILES Clc1ccccc1COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C26H23ClN2O5/c27-22-4-2-1-3-18(22)15-32-21-8-6-20(7-9-21)29-14-19(12-25(29)30)26(31)28-13-17-5-10-23-24(11-17)34-16-33-23/h1-11,19H,12-16H2,(H,28,31)/t19-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50049455
PNG
(CHEMBL3318319)
Show SMILES Fc1ccc(cc1)-c1cnn2c1nnc1c2ccn(NC(=O)COc2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C26H17FN6O3/c27-19-8-5-17(6-9-19)21-14-28-33-22-11-12-32(26(35)24(22)29-30-25(21)33)31-23(34)15-36-20-10-7-16-3-1-2-4-18(16)13-20/h1-14H,15H2,(H,31,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%