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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'van bruchem' and Initial = 'j'   
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))
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 0.400n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
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 0.400n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
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n/an/a 0.600n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
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n/an/a 0.600n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099620
PNG
(CHEMBL3356985)
Show SMILES OC(C1CCN(CC1)C(=O)n1cncn1)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H22N4O6/c28-22(27-12-24-11-25-27)26-7-5-15(6-8-26)23(29,16-1-3-18-20(9-16)32-13-30-18)17-2-4-19-21(10-17)33-14-31-19/h1-4,9-12,15,29H,5-8,13-14H2
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n/an/a 0.692n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099613
PNG
(CHEMBL3356958)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H22N4O/c26-21(25-12-11-22-17-25)24-15-13-23(14-16-24)20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20H,13-16H2
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n/an/a 0.700n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate assessed as remaining activity at 10 uM


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
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 0.851n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Homo sapiens (Human))
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 0.900n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Homo sapiens (Human))
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 1.30n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099610
PNG
(CHEMBL3356957)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1nnc2cccnc12
Show InChI InChI=1S/C23H22N6O/c30-23(29-22-20(25-26-29)12-7-13-24-22)28-16-14-27(15-17-28)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
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n/an/a 1.70n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
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n/an/a 2.70n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099609
PNG
(CHEMBL3356975)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2cccnc12
Show InChI InChI=1S/C23H22N6O2/c30-23(29-22-21(25-26-29)10-5-11-24-22)28-14-12-27(13-15-28)17-18-6-4-9-20(16-18)31-19-7-2-1-3-8-19/h1-11,16H,12-15,17H2
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n/an/a 5.5n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099604
PNG
(CHEMBL3356960)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C13H15N5O/c19-13(18-11-14-10-15-18)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 6n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099607
PNG
(CHEMBL3356974)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-12-5-4-11-22(23)25-26-29)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)31-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
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n/an/a 7.80n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099617
PNG
(CHEMBL3356959)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)n1nnc2cccnc12
Show InChI InChI=1S/C16H16N6O/c23-16(22-15-14(18-19-22)7-4-8-17-15)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2
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n/an/a 11n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442954
PNG
(CHEMBL3087192)
Show SMILES COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1 |r|
Show InChI InChI=1S/C15H20N2O3/c1-10(2)9-12-5-7-13(8-6-12)11(3)17-15(18)20-14(16-17)19-4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099605
PNG
(CHEMBL3356977)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1ccnc1
Show InChI InChI=1S/C21H22N4O2/c26-21(25-10-9-22-17-25)24-13-11-23(12-14-24)16-18-5-4-8-20(15-18)27-19-6-2-1-3-7-19/h1-10,15,17H,11-14,16H2
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n/an/a 15n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099615
PNG
(CHEMBL3356980)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1
Show InChI InChI=1S/C21H22N4O2/c26-21(25-11-10-22-17-25)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)27-19-4-2-1-3-5-19/h1-11,17H,12-16H2
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n/an/a 17n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099615
PNG
(CHEMBL3356980)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1
Show InChI InChI=1S/C21H22N4O2/c26-21(25-11-10-22-17-25)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)27-19-4-2-1-3-5-19/h1-11,17H,12-16H2
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n/an/a 17.4n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099609
PNG
(CHEMBL3356975)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2cccnc12
Show InChI InChI=1S/C23H22N6O2/c30-23(29-22-21(25-26-29)10-5-11-24-22)28-14-12-27(13-15-28)17-18-6-4-9-20(16-18)31-19-7-2-1-3-8-19/h1-11,16H,12-15,17H2
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n/an/a 23n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099616
PNG
(CHEMBL3356981)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)C(c2ccc3OCOc3c2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C27H24N2O8/c30-27(37-21-5-3-20(4-6-21)29(31)32)28-11-9-17(10-12-28)26(18-1-7-22-24(13-18)35-15-33-22)19-2-8-23-25(14-19)36-16-34-23/h1-8,13-14,17,26H,9-12,15-16H2
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n/an/a 42n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 44n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 46n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human MAGL expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099612
PNG
(CHEMBL3356979)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13H,14-18H2
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n/an/a 70n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099612
PNG
(CHEMBL3356979)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13H,14-18H2
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n/an/a 70n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118168
PNG
(CHEMBL3613162)
Show SMILES Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H13N3O3/c16-12-6-4-5-11(9-12)10-18-15(19)21-14(17-18)20-13-7-2-1-3-8-13/h1-9H,10,16H2
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n/an/a 73n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118168
PNG
(CHEMBL3613162)
Show SMILES Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H13N3O3/c16-12-6-4-5-11(9-12)10-18-15(19)21-14(17-18)20-13-7-2-1-3-8-13/h1-9H,10,16H2
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n/an/a 74n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
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 74n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 87n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 87n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442943
PNG
(CHEMBL3087173)
Show SMILES COc1nn(Cc2ccc(CC(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C14H18N2O3/c1-10(2)8-11-4-6-12(7-5-11)9-16-14(17)19-13(15-16)18-3/h4-7,10H,8-9H2,1-3H3
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n/an/a 89n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099607
PNG
(CHEMBL3356974)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-12-5-4-11-22(23)25-26-29)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)31-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
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n/an/a 89n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442943
PNG
(CHEMBL3087173)
Show SMILES COc1nn(Cc2ccc(CC(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C14H18N2O3/c1-10(2)8-11-4-6-12(7-5-11)9-16-14(17)19-13(15-16)18-3/h4-7,10H,8-9H2,1-3H3
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n/an/a 91n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 91n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 93n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442941
PNG
(CHEMBL3087178)
Show SMILES COc1nn(Cc2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C16H14N2O4/c1-20-15-17-18(16(19)22-15)11-12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118169
PNG
(CHEMBL3613161)
Show SMILES [O-][N+](=O)c1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H11N3O5/c19-15-17(10-11-5-4-6-12(9-11)18(20)21)16-14(23-15)22-13-7-2-1-3-8-13/h1-9H,10H2
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n/an/a 130n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118169
PNG
(CHEMBL3613161)
Show SMILES [O-][N+](=O)c1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H11N3O5/c19-15-17(10-11-5-4-6-12(9-11)18(20)21)16-14(23-15)22-13-7-2-1-3-8-13/h1-9H,10H2
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PubMed
n/an/a 130n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099604
PNG
(CHEMBL3356960)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C13H15N5O/c19-13(18-11-14-10-15-18)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 132n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099611
PNG
(CHEMBL3356962)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)n1cncn1
Show InChI InChI=1S/C10H15N5O3/c1-2-18-10(17)14-5-3-13(4-6-14)9(16)15-8-11-7-12-15/h7-8H,2-6H2,1H3
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n/an/a 141n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442942
PNG
(CHEMBL3087174)
Show SMILES COc1nn(Cc2ccc(cc2)-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C16H14N2O3/c1-20-15-17-18(16(19)21-15)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 160n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50442942
PNG
(CHEMBL3087174)
Show SMILES COc1nn(Cc2ccc(cc2)-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C16H14N2O3/c1-20-15-17-18(16(19)21-15)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 162n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Lysophosphatidylserine lipase ABHD12


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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PubMed
n/an/a 190n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118173
PNG
(CHEMBL3613003)
Show SMILES COc1nn(Cc2cccc(N)c2)c(=O)o1
Show InChI InChI=1S/C10H11N3O3/c1-15-9-12-13(10(14)16-9)6-7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3
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PubMed
n/an/a 216n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50118173
PNG
(CHEMBL3613003)
Show SMILES COc1nn(Cc2cccc(N)c2)c(=O)o1
Show InChI InChI=1S/C10H11N3O3/c1-15-9-12-13(10(14)16-9)6-7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3
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Article
PubMed
n/an/a 219n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
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