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Compile Data Set for Download or QSAR

Found 4416 hits of ic50 for UniProtKB: Q99685   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride lipase


(Homo sapiens (Human))
BDBM640384
PNG
((S)-(2-Chloro-6-fluorophenyl)(3-(3,5-difluoropheny...)
Show SMILES C[C@@H]1N(CCc2c1nn(C)c2-c1cc(F)cc(F)c1)C(=O)c1c(F)cccc1Cl |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50582221
PNG
(CHEMBL5090028 | US11708359, Example 60)
Show SMILES CC(C)(C)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.31,19.21,(59.02,-28.21,;59.02,-26.67,;60.35,-25.91,;60.34,-27.44,;57.69,-25.9,;56.35,-26.67,;55.02,-25.89,;55.03,-24.36,;56.37,-23.61,;57.69,-24.37,;56.38,-22.07,;57.7,-21.3,;56.37,-20.54,;55.04,-19.76,;53.72,-20.54,;53.7,-22.08,;55.03,-22.85,;52.38,-19.77,;52.38,-18.23,;51.05,-20.54,;50.65,-22.03,;49.16,-21.63,;49.56,-20.14,;48.84,-23.14,;47.3,-23.3,;46.68,-21.89,;45.17,-21.57,;47.82,-20.86,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2FRS
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50582221
PNG
(CHEMBL5090028 | US11708359, Example 60)
Show SMILES CC(C)(C)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.31,19.21,(59.02,-28.21,;59.02,-26.67,;60.35,-25.91,;60.34,-27.44,;57.69,-25.9,;56.35,-26.67,;55.02,-25.89,;55.03,-24.36,;56.37,-23.61,;57.69,-24.37,;56.38,-22.07,;57.7,-21.3,;56.37,-20.54,;55.04,-19.76,;53.72,-20.54,;53.7,-22.08,;55.03,-22.85,;52.38,-19.77,;52.38,-18.23,;51.05,-20.54,;50.65,-22.03,;49.16,-21.63,;49.56,-20.14,;48.84,-23.14,;47.3,-23.3,;46.68,-21.89,;45.17,-21.57,;47.82,-20.86,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50582221
PNG
(CHEMBL5090028 | US11708359, Example 60)
Show SMILES CC(C)(C)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.31,19.21,(59.02,-28.21,;59.02,-26.67,;60.35,-25.91,;60.34,-27.44,;57.69,-25.9,;56.35,-26.67,;55.02,-25.89,;55.03,-24.36,;56.37,-23.61,;57.69,-24.37,;56.38,-22.07,;57.7,-21.3,;56.37,-20.54,;55.04,-19.76,;53.72,-20.54,;53.7,-22.08,;55.03,-22.85,;52.38,-19.77,;52.38,-18.23,;51.05,-20.54,;50.65,-22.03,;49.16,-21.63,;49.56,-20.14,;48.84,-23.14,;47.3,-23.3,;46.68,-21.89,;45.17,-21.57,;47.82,-20.86,)|
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TBA

Assay Description
Inhibition of human MGL expressed in human HeLa cells assessed as amount of cleaved glycerol measured after 1 hrs by flow through assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00679
BindingDB Entry DOI: 10.7270/Q2MS3XNZ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581474
PNG
((2s,4s)-2-(2-(3-(tert-Butyl)phenyl)-7-azaspiro[3.5...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.82,-.16,;8.48,-.93,;8.48,.61,;9.82,-1.7,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM609871
PNG
((rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-3-azabic...)
Show SMILES CC(C)(C)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(5.59,-5.26,;6.36,-3.93,;7.9,-3.93,;7.13,-5.26,;5.59,-2.59,;4.05,-2.59,;3.28,-1.26,;4.05,.08,;5.59,.08,;6.36,-1.26,;3.28,1.41,;4.62,2.18,;3.28,2.95,;1.95,3.72,;.62,2.95,;.62,1.41,;1.95,.64,;-.72,3.72,;-.72,5.26,;-2.05,2.95,;-2.45,1.46,;-3.94,1.86,;-3.54,3.35,;-4.1,.33,;-5.6,.01,;-6.37,1.34,;-7.9,1.5,;-5.34,2.49,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2FRS
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM609871
PNG
((rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-3-azabic...)
Show SMILES CC(C)(C)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(5.59,-5.26,;6.36,-3.93,;7.9,-3.93,;7.13,-5.26,;5.59,-2.59,;4.05,-2.59,;3.28,-1.26,;4.05,.08,;5.59,.08,;6.36,-1.26,;3.28,1.41,;4.62,2.18,;3.28,2.95,;1.95,3.72,;.62,2.95,;.62,1.41,;1.95,.64,;-.72,3.72,;-.72,5.26,;-2.05,2.95,;-2.45,1.46,;-3.94,1.86,;-3.54,3.35,;-4.1,.33,;-5.6,.01,;-6.37,1.34,;-7.9,1.5,;-5.34,2.49,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50582222
PNG
(CHEMBL5074982 | US11708359, Example 71)
Show SMILES CC1(CC1)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.32,19.22,(81.16,-28.5,;81.16,-26.95,;81.56,-25.46,;82.65,-26.55,;79.83,-26.18,;78.5,-26.95,;77.17,-26.18,;77.18,-24.64,;78.52,-23.89,;79.83,-24.65,;78.52,-22.35,;79.85,-21.58,;78.52,-20.82,;77.18,-20.04,;75.86,-20.82,;75.85,-22.36,;77.18,-23.13,;74.53,-20.05,;74.53,-18.51,;73.2,-20.82,;72.8,-22.31,;71.31,-21.91,;71.71,-20.42,;70.99,-23.42,;69.45,-23.58,;68.82,-22.17,;67.31,-21.85,;69.97,-21.14,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2FRS
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50582222
PNG
(CHEMBL5074982 | US11708359, Example 71)
Show SMILES CC1(CC1)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.32,19.22,(81.16,-28.5,;81.16,-26.95,;81.56,-25.46,;82.65,-26.55,;79.83,-26.18,;78.5,-26.95,;77.17,-26.18,;77.18,-24.64,;78.52,-23.89,;79.83,-24.65,;78.52,-22.35,;79.85,-21.58,;78.52,-20.82,;77.18,-20.04,;75.86,-20.82,;75.85,-22.36,;77.18,-23.13,;74.53,-20.05,;74.53,-18.51,;73.2,-20.82,;72.8,-22.31,;71.31,-21.91,;71.71,-20.42,;70.99,-23.42,;69.45,-23.58,;68.82,-22.17,;67.31,-21.85,;69.97,-21.14,)|
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TBA

Assay Description
Inhibition of human MGL expressed in human HeLa cells assessed as amount of cleaved glycerol measured after 1 hrs by flow through assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00679
BindingDB Entry DOI: 10.7270/Q2MS3XNZ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50582222
PNG
(CHEMBL5074982 | US11708359, Example 71)
Show SMILES CC1(CC1)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.32,19.22,(81.16,-28.5,;81.16,-26.95,;81.56,-25.46,;82.65,-26.55,;79.83,-26.18,;78.5,-26.95,;77.17,-26.18,;77.18,-24.64,;78.52,-23.89,;79.83,-24.65,;78.52,-22.35,;79.85,-21.58,;78.52,-20.82,;77.18,-20.04,;75.86,-20.82,;75.85,-22.36,;77.18,-23.13,;74.53,-20.05,;74.53,-18.51,;73.2,-20.82,;72.8,-22.31,;71.31,-21.91,;71.71,-20.42,;70.99,-23.42,;69.45,-23.58,;68.82,-22.17,;67.31,-21.85,;69.97,-21.14,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581599
PNG
((2r,4s)-2-(2-(5-(tert-Butyl)-2-methylphenyl)-7-aza...)
Show SMILES Cc1ccc(cc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C(C)(C)C |r,wU:18.20,wD:20.23,(3.21,-4.01,;4.54,-3.24,;5.88,-4.01,;7.21,-3.24,;7.21,-1.7,;5.88,-.93,;4.54,-1.7,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,;8.54,-.93,;9.88,-.16,;8.54,.61,;9.88,-1.7,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50552710
PNG
(CHEMBL4749516)
Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(C1)c1ccc(cc1)-c1ccccc1OC(F)(F)F |r|
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TBA

Assay Description
Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass s...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00055
BindingDB Entry DOI: 10.7270/Q2571GN8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM609880
PNG
((rac)-(2s,4s)-2-(6-(4-(1-Methylcyclopropyl)phenyl)...)
Show SMILES CC1(CC1)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.22,wD:21.25,(5.7,-5.26,;6.47,-3.93,;7.8,-4.7,;7.8,-3.16,;5.7,-2.59,;4.16,-2.59,;3.39,-1.26,;4.16,.08,;5.7,.08,;6.47,-1.26,;3.39,1.41,;4.72,2.18,;3.39,2.95,;2.05,3.72,;.72,2.95,;.72,1.41,;2.05,.64,;-.61,3.72,;-.61,5.26,;-1.95,2.95,;-2.35,1.46,;-3.83,1.86,;-3.43,3.35,;-3.99,.33,;-5.5,.01,;-6.27,1.34,;-7.8,1.5,;-5.24,2.49,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2FRS
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM609880
PNG
((rac)-(2s,4s)-2-(6-(4-(1-Methylcyclopropyl)phenyl)...)
Show SMILES CC1(CC1)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.22,wD:21.25,(5.7,-5.26,;6.47,-3.93,;7.8,-4.7,;7.8,-3.16,;5.7,-2.59,;4.16,-2.59,;3.39,-1.26,;4.16,.08,;5.7,.08,;6.47,-1.26,;3.39,1.41,;4.72,2.18,;3.39,2.95,;2.05,3.72,;.72,2.95,;.72,1.41,;2.05,.64,;-.61,3.72,;-.61,5.26,;-1.95,2.95,;-2.35,1.46,;-3.83,1.86,;-3.43,3.35,;-3.99,.33,;-5.5,.01,;-6.27,1.34,;-7.8,1.5,;-5.24,2.49,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581624
PNG
((rac)-(2s,4s)-2-(2-(4-(Trifluoromethyl)phenyl)-8-a...)
Show SMILES FC(F)(F)c1ccc(cc1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(10.43,.68,;9.09,-.09,;9.49,1.39,;10.43,-.86,;7.6,-.49,;7.21,-1.98,;5.72,-2.38,;4.63,-1.29,;5.03,.2,;6.52,.6,;3.14,-1.69,;2.24,-2.93,;.77,-2.46,;.77,-.92,;2.24,-.44,;-.56,-1.69,;-1.9,-.92,;-1.9,.62,;-.56,1.39,;.77,.62,;-3.23,1.39,;-3.23,2.93,;-4.56,.62,;-4.96,-.86,;-6.45,-.47,;-6.05,1.02,;-6.61,-2,;-8.12,-2.32,;-8.89,-.98,;-10.43,-.98,;-7.86,.16,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581678
PNG
((2s,4S)-N-((1s,3S)-3-(4-Isopropylphenyl)cyclobutyl...)
Show SMILES CC(C)c1ccc(cc1)[C@@H]1C[C@@H](C1)N(C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.18,11.14,9.9,wD:19.21,$;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(9.21,2.4,;7.87,3.17,;7.87,4.71,;6.54,2.4,;6.54,.86,;5.2,.09,;3.87,.86,;3.87,2.4,;5.2,3.17,;2.54,.09,;1.05,.49,;.65,-1,;2.14,-1.4,;-.68,-1.77,;-.68,-3.31,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
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n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAGL expressed in HeLa cells using [glycerol-1, 3-3H]-oleoyl glycerol as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00019
BindingDB Entry DOI: 10.7270/Q2NZ8CJX
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50552709
PNG
(CHEMBL4759880)
Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(C1)c1ccc(cc1)-c1ccc(Cl)cc1Cl |r|
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TBA

Assay Description
Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass s...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00055
BindingDB Entry DOI: 10.7270/Q2571GN8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50552711
PNG
(CHEMBL4785835)
Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(C1)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
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TBA

Assay Description
Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass s...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00055
BindingDB Entry DOI: 10.7270/Q2571GN8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581678
PNG
((2s,4S)-N-((1s,3S)-3-(4-Isopropylphenyl)cyclobutyl...)
Show SMILES CC(C)c1ccc(cc1)[C@@H]1C[C@@H](C1)N(C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.18,11.14,9.9,wD:19.21,$;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(9.21,2.4,;7.87,3.17,;7.87,4.71,;6.54,2.4,;6.54,.86,;5.2,.09,;3.87,.86,;3.87,2.4,;5.2,3.17,;2.54,.09,;1.05,.49,;.65,-1,;2.14,-1.4,;-.68,-1.77,;-.68,-3.31,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HM5D9C
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581534
PNG
((2s,4s)-2-[2-(3-Isopropylphenyl)-7-azaspiro[3.5]no...)
Show SMILES CC(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(9.82,-1.7,;8.48,-.93,;8.48,.61,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581597
PNG
((2s,4s)-2-[2-(2,4-Dimethylphenyl)-7-azaspiro[3.5]n...)
Show SMILES Cc1ccc(C2CC3(C2)CCN(CC3)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)c(C)c1 |r,wU:16.17,wD:18.20,(9.15,-4.01,;7.82,-3.24,;7.82,-1.7,;6.48,-.93,;5.15,-1.7,;3.81,-.93,;2.33,-1.33,;1.93,.16,;3.42,.56,;.59,-.61,;-.74,.16,;-.74,1.7,;.59,2.47,;1.93,1.7,;-2.07,2.47,;-2.07,4.01,;-3.41,1.7,;-3.8,.21,;-5.29,.61,;-4.89,2.1,;-5.29,-.93,;-6.76,-1.41,;-7.66,-.16,;-9.15,.24,;-6.76,1.09,;5.15,-3.24,;3.81,-4.01,;6.48,-4.01,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50552713
PNG
(CHEMBL4745872)
Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(C1)c1ccc(CC(C)(C)C)cc1 |r|
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TBA

Assay Description
Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass s...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00055
BindingDB Entry DOI: 10.7270/Q2571GN8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM609878
PNG
((rac)-(2s,4s)-2-(6-(3-Chloro-4-methylphenyl)-3- az...)
Show SMILES Cc1ccc(cc1Cl)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.19,wD:19.22,(6.36,-4.59,;5.59,-3.26,;4.05,-3.26,;3.28,-1.93,;4.05,-.59,;5.59,-.59,;6.36,-1.93,;7.9,-1.93,;3.28,.74,;4.62,1.51,;3.28,2.28,;1.95,3.05,;.62,2.28,;.62,.74,;1.95,-.03,;-.72,3.05,;-.72,4.59,;-2.05,2.28,;-2.45,.79,;-3.94,1.19,;-3.54,2.68,;-4.1,-.34,;-5.6,-.66,;-6.37,.68,;-7.9,.84,;-5.34,1.82,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2FRS
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM609878
PNG
((rac)-(2s,4s)-2-(6-(3-Chloro-4-methylphenyl)-3- az...)
Show SMILES Cc1ccc(cc1Cl)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.19,wD:19.22,(6.36,-4.59,;5.59,-3.26,;4.05,-3.26,;3.28,-1.93,;4.05,-.59,;5.59,-.59,;6.36,-1.93,;7.9,-1.93,;3.28,.74,;4.62,1.51,;3.28,2.28,;1.95,3.05,;.62,2.28,;.62,.74,;1.95,-.03,;-.72,3.05,;-.72,4.59,;-2.05,2.28,;-2.45,.79,;-3.94,1.19,;-3.54,2.68,;-4.1,-.34,;-5.6,-.66,;-6.37,.68,;-7.9,.84,;-5.34,1.82,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581596
PNG
((2r,4s)-2-(2-(3-(tert-Butyl)phenyl)-7-azaspiro[3.5...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)CCC(=O)N2 |r,wU:21.23,wD:23.26,(9.82,-1.7,;8.48,-.93,;8.48,.61,;9.82,-.16,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581635
PNG
((rac)-(2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspi...)
Show SMILES CC(C)(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.51,-2.32,;8,-2.58,;7.46,-4.03,;8.98,-3.77,;7.01,-1.4,;7.55,.05,;6.56,1.23,;5.04,.97,;4.51,-.47,;5.49,-1.66,;2.97,-.47,;2.07,-1.72,;.6,-1.24,;.6,.3,;.36,1.82,;-1.16,1.58,;-.92,.06,;-2.41,2.49,;-2.41,4.03,;-3.81,1.86,;-4.21,.37,;-5.7,.77,;-5.3,2.26,;-5.62,-.77,;-7.06,-1.32,;-8.03,-.12,;-9.51,.08,;-7.19,1.17,;2.07,.78,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581518
PNG
((2s,4s)-2-[2-(3-Cyclopropylphenyl)-7-azaspiro[3.5]...)
Show SMILES O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CCC2(CC(C2)c2cccc(c2)C2CC2)CC1 |r,wU:2.1,wD:4.4,(-2.84,4.01,;-2.84,2.47,;-4.18,1.7,;-4.57,.21,;-6.06,.61,;-5.66,2.1,;-6.06,-.93,;-7.53,-1.41,;-8.43,-.16,;-9.92,.24,;-7.53,1.09,;-1.51,1.7,;-1.51,.16,;-.18,-.61,;1.16,.16,;1.56,-1.33,;3.04,-.93,;2.65,.56,;4.38,-1.7,;4.38,-3.24,;5.71,-4.01,;7.05,-3.24,;7.05,-1.7,;5.71,-.93,;8.38,-.93,;9.92,-.93,;9.15,.4,;1.16,1.7,;-.18,2.47,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581594
PNG
((2s,4s)-2-[2-[3-(Trifluoromethoxy)phenyl]-7-azaspi...)
Show SMILES FC(F)(F)Oc1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(8.53,2.18,;8.53,.64,;10.07,.64,;6.99,.64,;8.53,-.9,;7.2,-1.67,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581601
PNG
((2r,4s)-2-(2-(6-(tert-Butyl)pyridin-2-yl)-7-azaspi...)
Show SMILES CC(C)(C)c1cccc(n1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581650
PNG
((2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspiro[3.3...)
Show SMILES CC(C)(C)c1cccc(c1)C1CC2(C1)CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(8.07,.84,;8.07,-.7,;9.4,-1.47,;9.4,.07,;6.74,-1.47,;6.74,-3.01,;5.4,-3.78,;4.07,-3.01,;4.07,-1.47,;5.4,-.7,;2.74,-.7,;1.25,-1.1,;.85,.38,;2.34,.78,;-.64,-.01,;-1.04,1.47,;.45,1.87,;-2.37,2.24,;-2.37,3.78,;-3.7,1.47,;-4.1,-.01,;-5.59,.39,;-5.19,1.87,;-5.51,-1.15,;-6.95,-1.7,;-7.92,-.51,;-9.4,-.43,;-7.08,.78,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM630876
PNG
((7-((3,6-Dimethyl-5-(trifluoromethyl)pyridin-2-yl)...)
Show SMILES Cc1cc(c(C)nc1OC1CCC2(CN(C2)C(=O)[C@H]2C[C@@](C)(O)C2)CC1)C(F)(F)F |r,wU:20.23,18.19,wD:20.22,(5.29,-3.62,;5.29,-2.08,;6.62,-1.31,;6.62,.23,;5.29,1,;5.29,2.54,;3.95,.23,;3.95,-1.31,;2.62,-2.08,;1.29,-1.31,;-.05,-2.08,;-1.38,-1.31,;-1.38,.23,;-2.87,-.17,;-3.27,1.31,;-1.78,1.71,;-4.6,2.08,;-4.6,3.62,;-5.93,1.31,;-6.33,-.17,;-7.82,.23,;-8.22,-1.26,;-9.29,.64,;-7.42,1.71,;-.05,1,;1.29,.23,;7.95,1,;7.95,2.54,;9.29,.23,;9.29,1.77,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581631
PNG
((2s,4R*)-2-((S*)-6-(4-(Trifluoromethyl)phenyl)-2-a...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:10.10,19.20,wD:21.23,(9.12,.44,;8.54,-.99,;9.48,-2.2,;10.06,-.77,;7.01,-1.2,;6.43,-2.63,;4.91,-2.84,;3.96,-1.62,;4.54,-.2,;6.07,.02,;2.42,-1.62,;1.52,-2.87,;.05,-2.39,;.05,-.85,;-.19,.67,;-1.71,.43,;-1.47,-1.1,;-2.96,1.33,;-2.96,2.87,;-4.36,.7,;-4.76,-.78,;-6.25,-.38,;-5.85,1.1,;-6.17,-1.92,;-7.61,-2.47,;-8.57,-1.28,;-10.06,-1.08,;-7.74,.01,;1.52,-.38,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50552712
PNG
(CHEMBL4749293)
Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(C1)c1ccc(cc1)-c1c(Cl)cccc1C#N |r|
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TBA

Assay Description
Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass s...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00055
BindingDB Entry DOI: 10.7270/Q2571GN8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581648
PNG
((rac)-(2s,4s)-2-(6-(4-Isopropylphenyl)-2-azaspiro[...)
Show SMILES CC(C)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.62,.42,;8.95,-.97,;9.82,-2.24,;7.41,-1.08,;6.74,-2.47,;5.21,-2.58,;4.34,-1.31,;5.01,.08,;6.55,.19,;2.81,-1.42,;1.9,-2.67,;.44,-2.19,;.44,-.65,;-1.05,-1.05,;-1.45,.43,;.04,.83,;-2.78,1.2,;-2.78,2.74,;-4.12,.43,;-4.52,-1.05,;-6,-.65,;-5.6,.83,;-5.92,-2.19,;-7.36,-2.74,;-8.33,-1.55,;-9.82,-1.41,;-7.49,-.26,;1.9,-.18,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50552708
PNG
(CHEMBL4756662)
Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CCC(CC1)[C@H](c1ccccc1)c1ccc(C)cc1 |r|
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TBA

Assay Description
Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass s...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00055
BindingDB Entry DOI: 10.7270/Q2571GN8
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581642
PNG
((rac)-(2s,4s)-2-(2-(3-(tert-Butyl)phenyl)-8-azaspi...)
Show SMILES CC(C)(C)c1cccc(c1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(7.66,-4.22,;8.36,-2.84,;9.9,-2.76,;9.2,-4.13,;7.52,-1.55,;8.1,-.13,;7.16,1.09,;5.63,.88,;5.05,-.54,;5.99,-1.76,;3.51,-.54,;2.6,-1.79,;1.14,-1.31,;1.14,.23,;2.6,.71,;-.19,-.54,;-1.53,.23,;-1.54,1.77,;-.19,2.54,;1.14,1.77,;-2.79,2.68,;-2.79,4.22,;-4.2,2.05,;-4.6,.56,;-6.08,.96,;-5.68,2.45,;-6,-.58,;-7.44,-1.13,;-8.41,.07,;-9.9,.21,;-7.57,1.36,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581634
PNG
((rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-2-azaspi...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.17,.26,;8.54,-1.14,;9.45,-2.39,;10.08,-.98,;7.01,-1.3,;6.39,-2.71,;4.85,-2.87,;3.95,-1.62,;4.58,-.22,;6.11,-.06,;2.41,-1.62,;1.5,-2.87,;.04,-2.39,;.04,-.85,;-.2,.67,;-1.72,.43,;-1.48,-1.1,;-2.97,1.33,;-2.97,2.87,;-4.38,.7,;-4.77,-.78,;-6.26,-.38,;-5.86,1.1,;-6.18,-1.92,;-7.62,-2.47,;-8.59,-1.28,;-10.08,-1.15,;-7.75,.01,;1.5,-.38,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581595
PNG
((2s,4s)-2-[2-(2,3-Dimethylphenyl)-7-azaspiro[3.5]n...)
Show SMILES Cc1cccc(C2CC3(C2)CCN(CC3)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)c1C |r,wU:17.18,wD:19.21,(9.15,-.93,;7.82,-1.7,;7.82,-3.24,;6.48,-4.01,;5.15,-3.24,;5.15,-1.7,;3.81,-.93,;2.33,-1.33,;1.93,.16,;3.42,.56,;.59,-.61,;-.74,.16,;-.74,1.7,;.59,2.47,;1.93,1.7,;-2.07,2.47,;-2.07,4.01,;-3.41,1.7,;-3.8,.21,;-5.29,.61,;-4.89,2.1,;-5.29,-.93,;-6.76,-1.41,;-7.66,-.16,;-9.15,.24,;-6.76,1.09,;6.48,-.93,;6.48,.61,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581643
PNG
((rac)-(2s,4s)-2-(2-(4-(tert-Butyl)phenyl)-8-azaspi...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(9.63,-2.96,;8.76,-1.69,;9.41,-.3,;10.29,-1.57,;7.22,-1.81,;6.56,-3.21,;5.03,-3.33,;4.15,-2.06,;4.81,-.67,;6.34,-.55,;2.61,-2.06,;1.71,-3.31,;.24,-2.83,;.24,-1.29,;1.71,-.82,;-1.25,-1.69,;-2.34,-.6,;-1.94,.88,;-.45,1.28,;.64,.19,;-3.18,1.79,;-3.18,3.33,;-4.59,1.16,;-4.99,-.32,;-6.48,.07,;-6.08,1.56,;-6.4,-1.46,;-7.83,-2.01,;-8.8,-.82,;-10.29,-.69,;-7.96,.47,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM597443
PNG
((4-Fluoropyrazolo[1,5-a]pyridin-3-yl)((5R,9S)-2-me...)
Show SMILES Cn1nc2[C@H]3CCC[C@@H](Cc2c1-c1cc(F)c(F)c(F)c1)N3C(=O)c1cnn2cccc(F)c12 |r,TLB:22:21:3.10.9:7.6.5|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN6BQH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581646
PNG
((rac)-(2s,4s)-2-(6-(3-Isopropylphenyl)-2-azaspiro[...)
Show SMILES CC(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.48,-2.44,;7.95,-2.55,;7.28,-3.94,;7.08,-1.28,;7.75,.11,;6.88,1.38,;5.35,1.27,;4.68,-.12,;5.54,-1.39,;3.14,-.23,;2.24,-1.48,;.77,-1,;.77,.54,;-.72,.14,;-1.11,1.63,;.37,2.03,;-2.45,2.4,;-2.45,3.94,;-3.78,1.63,;-4.18,.14,;-5.67,.54,;-5.27,2.03,;-5.59,-1,;-7.03,-1.55,;-7.99,-.35,;-9.48,-.22,;-7.16,.94,;2.24,1.01,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S186B3
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM597214
PNG
((4-Bromoquinolin-6-yl)((5R,9S)-3-(3,5-difluorophen...)
Show SMILES Cn1nc2[C@H]3CCC[C@@H](Cc2c1-c1cc(F)cc(F)c1)N3C(=O)c1ccc2nccc(Br)c2c1 |r,TLB:21:20:10.3.9:7.6.5|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN6BQH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50250848
PNG
(CHEMBL4059676)
Show SMILES FC(F)(F)C(OC(=O)N1CC(C1)c1ccn(n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H13F6N3O2/c17-15(18,19)13(16(20,21)22)27-14(26)24-8-10(9-24)12-6-7-25(23-12)11-4-2-1-3-5-11/h1-7,10,13H,8-9H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human brain vascular pericytes after 1 hr by TAMRA azide-based In-gel fluorescence method


J Med Chem 60: 9860-9873 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01531
BindingDB Entry DOI: 10.7270/Q2N300CG
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50250859
PNG
(CHEMBL4097203)
Show SMILES Fc1ccc(cc1F)-n1ccc(n1)C1CN(C1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F8N3O2/c17-10-2-1-9(5-11(10)18)27-4-3-12(25-27)8-6-26(7-8)14(28)29-13(15(19,20)21)16(22,23)24/h1-5,8,13H,6-7H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human brain vascular pericytes after 1 hr by TAMRA azide-based In-gel fluorescence method


J Med Chem 60: 9860-9873 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01531
BindingDB Entry DOI: 10.7270/Q2N300CG
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM630668
PNG
(((1s,3s)-3-Hydroxy-3-methylcyclobutyl)(7-(2-methyl...)
Show SMILES Cc1cc(ccc1OC1CCC2(CN(C2)C(=O)[C@H]2C[C@@](C)(O)C2)CC1)C(F)(F)F |r,wU:17.18,19.22,wD:19.21,(2.85,.49,;4.18,-.28,;5.51,.49,;6.85,-.28,;6.85,-1.82,;5.51,-2.59,;4.18,-1.82,;2.85,-2.59,;1.51,-1.82,;.18,-2.59,;-1.15,-1.82,;-1.15,-.28,;-1.92,1.05,;-3.26,.28,;-2.49,-1.05,;-4.59,1.05,;-4.59,2.59,;-5.92,.28,;-6.69,-1.05,;-8.03,-.28,;-8.8,-1.62,;-9.52,.12,;-7.26,1.05,;.18,.49,;1.51,-.28,;8.18,.49,;9.52,-.28,;8.18,2.03,;9.52,1.26,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM626948
PNG
((2s,4s)-2-(4-(4-(tert-Butyl)phenyl)piperidine-1-ca...)
Show SMILES CC(C)(C)c1ccc(cc1)C1CCN(CC1)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.19,wD:20.22,(7.6,-4.23,;7.6,-2.69,;8.93,-1.93,;8.93,-3.47,;6.27,-1.93,;4.93,-2.69,;3.6,-1.93,;3.6,-.38,;4.93,.38,;6.27,-.38,;2.26,.38,;.93,-.38,;-.4,.38,;-.4,1.93,;.93,2.69,;2.26,1.93,;-1.74,2.69,;-1.74,4.23,;-3.07,1.93,;-3.47,.44,;-4.96,.84,;-4.56,2.32,;-5.12,-.7,;-6.62,-1.02,;-7.39,.32,;-8.93,.43,;-6.36,1.46,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM626965
PNG
((racemic)-(2s,4S)-2-((3R,4R)-4-(4-(tert-Butyl)phen...)
Show SMILES C[C@H]1CN(CC[C@H]1c1ccc(cc1)C(C)(C)C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.20,wD:21.23,6.7,1.0,(3.62,2.72,;2.29,1.95,;.9,2.69,;-.43,1.93,;-.43,.38,;.9,-.38,;2.24,.38,;3.57,-.38,;3.57,-1.93,;4.91,-2.69,;6.24,-1.93,;6.24,-.38,;4.91,.39,;7.57,-2.69,;8.91,-3.47,;8.91,-1.93,;7.57,-4.23,;-1.76,2.69,;-1.76,4.23,;-3.1,1.93,;-3.49,.44,;-4.98,.84,;-4.58,2.32,;-5.14,-.7,;-6.65,-1.02,;-7.42,.32,;-8.91,.72,;-6.39,1.46,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581668
PNG
((2s,4S)-N-((1s,3S)-3-(4-(tert-Butyl)phenyl)cyclobu...)
Show SMILES CN([C@H]1C[C@H](C1)c1ccc(cc1)C(C)(C)C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.19,2.1,4.6,wD:20.22,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(-.68,-3.31,;-.68,-1.77,;.65,-1,;1.05,.49,;2.54,.09,;2.14,-1.4,;3.87,.86,;5.2,.09,;6.54,.86,;6.54,2.4,;5.2,3.17,;3.87,2.4,;7.87,3.17,;9.21,2.4,;7.87,4.71,;9.21,3.94,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
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TBA

Assay Description
The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al.,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HM5D9C
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM597927
PNG
(US11608347, Example 55 | [(7R,9aR)-7-(3-chloro-4- ...)
Show SMILES COc1cccc(C(=O)N2CCN3C[C@H](CC[C@@H]3C2)c2ccc(F)c(Cl)c2)c1Cl |r|
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TBA

Assay Description
In one embodiment, the present invention provides compounds of formula (Ie) and their pharmaceutically acceptable salts as described herein, wherein ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HX1HKS
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM581668
PNG
((2s,4S)-N-((1s,3S)-3-(4-(tert-Butyl)phenyl)cyclobu...)
Show SMILES CN([C@H]1C[C@H](C1)c1ccc(cc1)C(C)(C)C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.19,2.1,4.6,wD:20.22,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(-.68,-3.31,;-.68,-1.77,;.65,-1,;1.05,.49,;2.54,.09,;2.14,-1.4,;3.87,.86,;5.2,.09,;6.54,.86,;6.54,2.4,;5.2,3.17,;3.87,2.4,;7.87,3.17,;9.21,2.4,;7.87,4.71,;9.21,3.94,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MAGL expressed in HeLa cells using [glycerol-1, 3-3H]-oleoyl glycerol as substrate incubated for 1 hr


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00019
BindingDB Entry DOI: 10.7270/Q2NZ8CJX
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Ligand-Target Pair
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