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Compile Data Set for Download or QSAR

Found 227 hits of ic50 data for polymerid = 4873   
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


(Rattus norvegicus (Rat))
BDBM50065646
PNG
(CHEMBL3087181)
Show SMILES O=C(N1CCC(CC1)C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1
Show InChI InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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n/an/a 0.214n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50450752
PNG
(CHEMBL4216513)
Show SMILES O=[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc2-[#8]-[#6]-[#8]-c2c1)-c1ccc2-[#8]-[#6]-[#8]-c2c1)-n1cncn1
Show InChI InChI=1S/C23H20N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12H,5-8,13-14H2
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n/an/a 0.269n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50102829
PNG
(CHEMBL3356956)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C20H21N5O/c26-20(25-16-21-15-22-25)24-13-11-23(12-14-24)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,19H,11-14H2
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n/an/a 0.589n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50099618
PNG
(CHEMBL1232635)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)n1cncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
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n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 63: 5783-5796 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02137
BindingDB Entry DOI: 10.7270/Q2GQ7288
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50099618
PNG
(CHEMBL1232635)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)n1cncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of MAGL in rat brain membranes preincubated for 20 mins followed by fluorophosphonate-rhodamine addition measured after 30 mins by competi...


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514172
PNG
(CHEMBL4536072)
Show SMILES O=c1n(NCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C19H20N4O2S2/c24-18-14-8-2-4-10-16(14)26-22(18)20-12-6-1-7-13-21-23-19(25)15-9-3-5-11-17(15)27-23/h2-5,8-11,20-21H,1,6-7,12-13H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM179950
PNG
(US9133148, 3a)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
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n/an/a 14n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514166
PNG
(CHEMBL4448448)
Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514173
PNG
(CHEMBL4463191)
Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells preincubated for 10 mins fol...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520895
PNG
(CHEMBL4472033)
Show SMILES O=C(Oc1cc(ccn1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-18-19-11-14-27-23(17-19)30-25(29)28-15-12-22(13-16-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17,22,24H,12-13,15-16H2
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n/an/a 20n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514167
PNG
(CHEMBL4560077)
Show SMILES O=c1n(CCc2cccc3ccccc23)sc2ccccc12
Show InChI InChI=1S/C19H15NOS/c21-19-17-10-3-4-11-18(17)22-20(19)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM60622
PNG
(BDBM50300355 | US11753371, Compound JZL-184 | US91...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 25n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL expressed in monkey COS7 cells


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520905
PNG
(CHEMBL4437385)
Show SMILES Clc1ccc(cc1)C(C1CCN(CC1)C(=O)Oc1cccc(c1)C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22Cl2N2O2/c27-22-8-4-19(5-9-22)25(20-6-10-23(28)11-7-20)21-12-14-30(15-13-21)26(31)32-24-3-1-2-18(16-24)17-29/h1-11,16,21,25H,12-15H2
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n/an/a 33n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50435396
PNG
(CHEMBL2391916)
Show SMILES O=c1n(CCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 34n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520885
PNG
(CHEMBL4521157)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N2O2/c27-19-20-8-7-13-24(18-20)30-26(29)28-16-14-23(15-17-28)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25H,14-17H2
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n/an/a 37n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM179929
PNG
(US9133148, 1a)
Show SMILES OC(C1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2
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n/an/a 43n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50450761
PNG
(CHEMBL4202705)
Show SMILES CCCCCCCC\C=C/CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C21H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-21(23)18-20-24-22/h9-10,18,20H,2-8,11-17,19H2,1H3/b10-9-
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Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells preincubated for 10 mins fol...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514173
PNG
(CHEMBL4463191)
Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
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n/an/a 45n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520890
PNG
(CHEMBL4445089)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H21N3O2/c26-17-18-6-5-7-19(16-18)30-25(29)28-14-12-27(13-15-28)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16,24H,12-15H2
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n/an/a 52n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514173
PNG
(CHEMBL4463191)
Show SMILES O=c1n(NCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-14-12-8-4-5-9-13(12)18-16(14)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
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n/an/a 54n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514170
PNG
(CHEMBL4515209)
Show SMILES O=c1n(CCc2ccc3ccccc3c2)sc2ccccc12
Show InChI InChI=1S/C19H15NOS/c21-19-17-7-3-4-8-18(17)22-20(19)12-11-14-9-10-15-5-1-2-6-16(15)13-14/h1-10,13H,11-12H2
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n/an/a 54n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514182
PNG
(CHEMBL3219170)
Show SMILES O=c1n(sc2ccccc12)C1CCCCC1
Show InChI InChI=1S/C13H15NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
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n/an/a 56n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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n/an/a 59n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant N-terminal his-tagged MAGL expressed in Escherichia coli DH5alpha assessed as 2-oleoylglycerol hydrolysis after 10 mins...


Bioorg Med Chem Lett 21: 7321-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.026
BindingDB Entry DOI: 10.7270/Q2B27VPC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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n/an/a 59n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM61908
PNG
(2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...)
Show SMILES Cn1sc2ccccc2c1=O
Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
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n/an/a 60n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50435396
PNG
(CHEMBL2391916)
Show SMILES O=c1n(CCc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 73n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520896
PNG
(CHEMBL4463729)
Show SMILES O=C(Oc1cccc(n1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-18-22-12-7-13-23(27-22)30-25(29)28-16-14-21(15-17-28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,21,24H,14-17H2
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n/an/a 76n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514166
PNG
(CHEMBL4448448)
Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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n/an/a 83n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359049
PNG
(CHEMBL1922512)
Show SMILES CCCCCCCCN1SCCC1=O
Show InChI InChI=1S/C11H21NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h2-10H2,1H3
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n/an/a 88n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant N-terminal his-tagged MAGL expressed in Escherichia coli DH5alpha assessed as 2-oleoylglycerol hydrolysis after 10 mins...


Bioorg Med Chem Lett 21: 7321-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.026
BindingDB Entry DOI: 10.7270/Q2B27VPC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM66023
PNG
(2-octyl-1,2-thiazol-3-one | 2-octyl-3-isothiazolon...)
Show SMILES CCCCCCCCn1sccc1=O
Show InChI InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
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n/an/a 88n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells preincubated for 10 mins fol...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM81363
PNG
(Pristimerin)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]3(C)C2C1 |r,c:16,t:14|
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,31-32H,1,10-15,17H2,2-7H3/t23?,26-,27-,28+,29-,30+/m1/s1
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n/an/a 93n/an/an/an/an/a37



University of California Irvine



Assay Description
Purified recombinant rat MGL was prepared and enzyme activity was assayed.


Chem Biol 16: 1045-52 (2009)


Article DOI: 10.1016/j.chembiol.2009.09.012
BindingDB Entry DOI: 10.7270/Q2HH6HJ3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50481947
PNG
(CHEBI:8416 | GNF-Pf-476 | PRISTIMERIN | Pristimeri...)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19|
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
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n/an/a 93n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant rat MAGL by LC-MS analysis


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127986
BindingDB Entry DOI: 10.7270/Q2D222D0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50450775
PNG
(CHEMBL4207055 | med.21724, Compound 142)
Show SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)C2C1 |r,c:24,t:14,16,19|
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23?,26-,27-,28+,29-,30+/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MAGL expressed in Escherichia coli using 2-AG as substrate


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514180
PNG
(CHEMBL4439900)
Show SMILES COC(=O)c1ccc(CNn2sc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-21-16(20)12-8-6-11(7-9-12)10-17-18-15(19)13-4-2-3-5-14(13)22-18/h2-9,17H,10H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520901
PNG
(CHEMBL4472005)
Show SMILES COc1cc(OC(=O)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc(c1)C#N
Show InChI InChI=1S/C27H26N2O3/c1-31-24-16-20(19-28)17-25(18-24)32-27(30)29-14-12-23(13-15-29)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-18,23,26H,12-15H2,1H3
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n/an/a 98n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520904
PNG
(CHEMBL4541769)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)Oc1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N3O2/c26-21-8-4-19(5-9-21)24(20-6-10-22(27)11-7-20)29-12-14-30(15-13-29)25(31)32-23-3-1-2-18(16-23)17-28/h1-11,16,24H,12-15H2
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n/an/a 98n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520894
PNG
(CHEMBL4540953)
Show SMILES Oc1cc(OC(=O)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc(c1)C#N
Show InChI InChI=1S/C26H24N2O3/c27-18-19-15-23(29)17-24(16-19)31-26(30)28-13-11-22(12-14-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25,29H,11-14H2
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n/an/a 98n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520888
PNG
(CHEMBL4473440)
Show SMILES Fc1cc(OC(=O)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc(c1)C#N
Show InChI InChI=1S/C26H23FN2O2/c27-23-15-19(18-28)16-24(17-23)31-26(30)29-13-11-22(12-14-29)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25H,11-14H2
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n/an/a 105n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520898
PNG
(CHEMBL4435037)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-19-20-8-7-13-23(18-20)30-25(29)28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,24H,14-17H2
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n/an/a 108n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520892
PNG
(CHEMBL4548730)
Show SMILES Fc1ccc(cc1OC(=O)N1CCC(CC1)C(c1ccccc1)c1ccccc1)C#N
Show InChI InChI=1S/C26H23FN2O2/c27-23-12-11-19(18-28)17-24(23)31-26(30)29-15-13-22(14-16-29)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,22,25H,13-16H2
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n/an/a 112n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514166
PNG
(CHEMBL4448448)
Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12
Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2
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n/an/a 114n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520887
PNG
(CHEMBL4565696)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c27-19-20-8-7-13-24(18-20)31-26(29)28-16-14-23(15-17-28)30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25H,14-17H2
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n/an/a 120n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50514179
PNG
(CHEMBL4558017)
Show SMILES Oc1ccc2sn(CCc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C15H13NO2S/c17-12-6-7-14-13(10-12)15(18)16(19-14)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
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n/an/a 135n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
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



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of MAGL in rat cerebellar membranes


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
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


(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



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat cerebellar membranes MAGL-like activity preincubated for 30 mins followed by 2-AG substrate addition after 90 mins by HPLC analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50520891
PNG
(CHEMBL4557262)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C15H17N3O2/c16-11-12-2-1-3-14(10-12)20-15(19)18-8-6-17(7-9-18)13-4-5-13/h1-3,10,13H,4-9H2
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MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...


Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
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