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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50000616   
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


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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412n/an/an/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAGL using 4-NPA as substrate after 30 mins by Michaelis-Menten plot analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
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 140n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM60419
PNG
(BDBM50295658 | NAM)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCN1C(=O)C=CC1=O |c:23|
Show InChI InChI=1S/C24H35NO2/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/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 140n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of MAGL from Wistar rat brain using 2-monooleoyl[1,2,3-H]glycerol as substrate


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a 390n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins by HPLC analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a 510n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 30 mins by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255239
PNG
(CHEMBL4098069)
Show SMILES Oc1ccc(cc1)-c1cc(nn1Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H29N3O2/c33-26-13-11-25(12-14-26)28-20-27(30-32(28)21-24-9-5-2-6-10-24)29(34)31-17-15-23(16-18-31)19-22-7-3-1-4-8-22/h1-14,20,23,33H,15-19,21H2
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n/an/a 810n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM24586
PNG
((1R)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}d...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r|
Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL expressed in African green monkey COS7 cells using 2-arachidonoyl-[3H]-glycerol as substrate after 20 mins by sc...


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255237
PNG
(CHEMBL4060693)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H31N3O2/c1-22-7-9-25(10-8-22)21-33-29(26-11-13-27(34)14-12-26)20-28(31-33)30(35)32-17-15-24(16-18-32)19-23-5-3-2-4-6-23/h2-14,20,24,34H,15-19,21H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255281
PNG
(CHEMBL4093753)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H26ClN3O2/c29-23-8-10-24(11-9-23)32-27(22-6-12-25(33)13-7-22)19-26(30-32)28(34)31-16-14-21(15-17-31)18-20-4-2-1-3-5-20/h1-13,19,21,33H,14-18H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255236
PNG
(CHEMBL4083351)
Show SMILES Cc1cc(C)cc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C31H33N3O2/c1-22-16-23(2)18-26(17-22)21-34-30(27-8-10-28(35)11-9-27)20-29(32-34)31(36)33-14-12-25(13-15-33)19-24-6-4-3-5-7-24/h3-11,16-18,20,25,35H,12-15,19,21H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255240
PNG
(CHEMBL4066972)
Show SMILES Cc1ccc(cc1)-n1nc(cc1-c1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H29N3O2/c1-21-7-11-25(12-8-21)32-28(24-9-13-26(33)14-10-24)20-27(30-32)29(34)31-17-15-23(16-18-31)19-22-5-3-2-4-6-22/h2-14,20,23,33H,15-19H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255280
PNG
(CHEMBL4102429)
Show SMILES Oc1ccc(cc1)-c1cc(nn1CCCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H33N3O2/c35-28-15-13-27(14-16-28)30-23-29(32-34(30)19-7-12-24-8-3-1-4-9-24)31(36)33-20-17-26(18-21-33)22-25-10-5-2-6-11-25/h1-6,8-11,13-16,23,26,35H,7,12,17-22H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255279
PNG
(CHEMBL4068325)
Show SMILES Oc1ccc(cc1)-c1cc(nn1Cc1cccc2ccccc12)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H31N3O2/c37-29-15-13-27(14-16-29)32-22-31(34-36(32)23-28-11-6-10-26-9-4-5-12-30(26)28)33(38)35-19-17-25(18-20-35)21-24-7-2-1-3-8-24/h1-16,22,25,37H,17-21,23H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255272
PNG
(CHEMBL4067643)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H27N3O2/c32-25-13-11-23(12-14-25)27-20-26(29-31(27)24-9-5-2-6-10-24)28(33)30-17-15-22(16-18-30)19-21-7-3-1-4-8-21/h1-14,20,22,32H,15-19H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255241
PNG
(CHEMBL4079489)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H29N3O3/c1-35-26-13-9-24(10-14-26)32-28(23-7-11-25(33)12-8-23)20-27(30-32)29(34)31-17-15-22(16-18-31)19-21-5-3-2-4-6-21/h2-14,20,22,33H,15-19H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255238
PNG
(CHEMBL4071829)
Show SMILES Oc1ccc(cc1)-c1cc(nn1CCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31N3O2/c34-27-13-11-26(12-14-27)29-22-28(31-33(29)20-17-23-7-3-1-4-8-23)30(35)32-18-15-25(16-19-32)21-24-9-5-2-6-10-24/h1-14,22,25,34H,15-21H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255275
PNG
(CHEMBL4086389)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H24N4O2/c31-23-13-11-20(12-14-23)25-19-24(27-30(25)22-9-5-2-6-10-22)26(32)29-17-15-28(16-18-29)21-7-3-1-4-8-21/h1-14,19,31H,15-18H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255289
PNG
(CHEMBL4084037)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H22N6O2/c31-20-9-7-18(8-10-20)22-17-21(27-30(22)19-5-2-1-3-6-19)23(32)28-13-15-29(16-14-28)24-25-11-4-12-26-24/h1-12,17,31H,13-16H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 ...


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHOK1 cell membranes after 90 mins


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHOK1 cell membranes after 90 mins


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5...


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH using AMC arachidonoylamide as substrate after 30 mins by fluorescence assay


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255282
PNG
(CHEMBL4087366)
Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H26ClN3O/c29-24-13-11-23(12-14-24)27-20-26(30-32(27)25-9-5-2-6-10-25)28(33)31-17-15-22(16-18-31)19-21-7-3-1-4-8-21/h1-14,20,22H,15-19H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255287
PNG
(CHEMBL4102813)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H26N4O2/c32-24-13-11-22(12-14-24)26-19-25(28-31(26)23-9-5-2-6-10-23)27(33)30-17-15-29(16-18-30)20-21-7-3-1-4-8-21/h1-14,19,32H,15-18,20H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255242
PNG
(CHEMBL4097523)
Show SMILES O=C(N1CCC(Cc2ccccc2)CC1)c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C28H27N3O/c32-28(30-18-16-23(17-19-30)20-22-10-4-1-5-11-22)26-21-27(24-12-6-2-7-13-24)31(29-26)25-14-8-3-9-15-25/h1-15,21,23H,16-20H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
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 2.80E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of MAGL from Wistar rat brain using 2-monooleoyl[1,2,3-H]glycerol as substrate


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255288
PNG
(CHEMBL4075839)
Show SMILES Oc1cccc(c1)-c1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H22N6O2/c31-20-9-4-6-18(16-20)22-17-21(27-30(22)19-7-2-1-3-8-19)23(32)28-12-14-29(15-13-28)24-25-10-5-11-26-24/h1-11,16-17,31H,12-15H2
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n/an/a 4.80E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255273
PNG
(CHEMBL4078532)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19N3O3/c24-17-8-6-15(7-9-17)19-14-18(20(25)22-10-12-26-13-11-22)21-23(19)16-4-2-1-3-5-16/h1-9,14,24H,10-13H2
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n/an/a 6.10E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255274
PNG
(CHEMBL4064925)
Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc(O)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-23-11-13-24(14-12-23)21(27)19-15-20(16-7-9-18(26)10-8-16)25(22-19)17-5-3-2-4-6-17/h2-10,15,26H,11-14H2,1H3
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n/an/a 7.10E+4n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255276
PNG
(CHEMBL4091802)
Show SMILES Cn1nc(cc1-c1ccc(O)cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C19H20N6O2/c1-23-17(14-3-5-15(26)6-4-14)13-16(22-23)18(27)24-9-11-25(12-10-24)19-20-7-2-8-21-19/h2-8,13,26H,9-12H2,1H3
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n/an/a 1.32E+5n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255271
PNG
(CHEMBL4095055)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O2/c33-25-13-11-22(12-14-25)27-19-26(30-32(27)24-9-5-2-6-10-24)28(34)29-23-15-17-31(18-16-23)20-21-7-3-1-4-8-21/h1-14,19,23,33H,15-18,20H2,(H,29,34)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255278
PNG
(CHEMBL4073675)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1cc(-c2ccc(OCc3ccccc3)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C31H28N6O2/c38-30(35-18-20-36(21-19-35)31-32-16-7-17-33-31)28-22-29(37(34-28)26-10-5-2-6-11-26)25-12-14-27(15-13-25)39-23-24-8-3-1-4-9-24/h1-17,22H,18-21,23H2
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Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255277
PNG
(CHEMBL4094290)
Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)c1cc(-c2ccc(OCc3ccccc3)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C33H33N7O2/c41-32(34-18-19-38-20-22-39(23-21-38)33-35-16-7-17-36-33)30-24-31(40(37-30)28-10-5-2-6-11-28)27-12-14-29(15-13-27)42-25-26-8-3-1-4-9-26/h1-17,24H,18-23,25H2,(H,34,41)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50255243
PNG
(CHEMBL4105223)
Show SMILES Oc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(=O)NCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C26H27N7O2/c34-22-9-7-20(8-10-22)24-19-23(30-33(24)21-5-2-1-3-6-21)25(35)27-13-14-31-15-17-32(18-16-31)26-28-11-4-12-29-26/h1-12,19,34H,13-18H2,(H,27,35)
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Department of Chemical and Pharmaceutical Sciences, University of Ferrara , 44121 Ferrara, Italy.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis


J Med Chem 61: 1340-1354 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01845
BindingDB Entry DOI: 10.7270/Q2JM2D3V
More data for this
Ligand-Target Pair