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Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'laitinen' and Initial = 'jt'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
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 0.360n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid by HPLC analysis


Bioorg Med Chem Lett 25: 1436-42 (2015)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50308537
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 0.630n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50308539
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 0.790n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50422837
PNG
(CHEMBL382676)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H29N3O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14,25H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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 3.40n/an/an/an/an/an/a



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50308538
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50422834
PNG
(CHEMBL204387)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50442946
PNG
(CHEMBL3087191)
Show SMILES COc1nn(C(C)c2ccc(cc2)N(c2ccccc2)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C23H21N3O3/c1-17(26-23(27)29-22(24-26)28-2)18-13-15-21(16-14-18)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17H,1-2H3
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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 FAAH in rat RBL2H3 cells assessed as blockade of [3H]-anandamide uptake incubated for 15 mins prior to [3H]-anandamide addition measure...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442954
PNG
(CHEMBL3087192)
Show SMILES COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1
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 recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442954
PNG
(CHEMBL3087192)
Show SMILES COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1
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 recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442954
PNG
(CHEMBL3087192)
Show SMILES COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50422836
PNG
(CHEMBL206492)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccccc3N)c(=O)[nH]c12
Show InChI InChI=1S/C22H25N3O4/c1-3-4-7-12-29-20-18(28-2)11-10-14-13-15(22(27)25-19(14)20)21(26)24-17-9-6-5-8-16(17)23/h5-6,8-11,13H,3-4,7,12,23H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 13n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50350547
PNG
(CHEMBL257307)
Show SMILES CCCCCCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(21)18-20-17-16(22-18)13-11-14-19-17/h11,13-14H,2-10,12H2,1H3
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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 overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50350547
PNG
(CHEMBL257307)
Show SMILES CCCCCCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(21)18-20-17-16(22-18)13-11-14-19-17/h11,13-14H,2-10,12H2,1H3
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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 overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50422831
PNG
(CHEMBL381313)
Show SMILES CCCCCOc1c(OC)ccc2cc(NC(=O)Cc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-23-19(29-2)9-7-16-13-17(24(28)26-22(16)23)25-21(27)12-15-6-8-18-20(11-15)32-14-31-18/h6-9,11,13H,3-5,10,12,14H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442953
PNG
(CHEMBL3087168)
Show SMILES COc1nn([C@@H](C)c2ccc(cc2)-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C17H16N2O3/c1-12(19-17(20)22-16(18-19)21-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m0/s1
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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 overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(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



School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, PO Box 1627, FIN-7021 Kuopio, 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)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442953
PNG
(CHEMBL3087168)
Show SMILES COc1nn([C@@H](C)c2ccc(cc2)-c2ccccc2)c(=O)o1
Show InChI InChI=1S/C17H16N2O3/c1-12(19-17(20)22-16(18-19)21-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m0/s1
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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 overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442959
PNG
(CHEMBL3087182)
Show SMILES COc1nn(C(C)c2ccc(CC(C)C)cc2)c(=O)o1
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
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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 overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442959
PNG
(CHEMBL3087182)
Show SMILES COc1nn(C(C)c2ccc(CC(C)C)cc2)c(=O)o1
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
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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 overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 25n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 10 mins by HPLC analysis


Bioorg Med Chem Lett 25: 1436-42 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 25n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50422829
PNG
(CHEMBL381969)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)[nH]c12
Show InChI InChI=1S/C26H29N3O4/c1-3-4-7-14-33-24-22(32-2)11-10-17-15-20(26(31)29-23(17)24)25(30)27-13-12-18-16-28-21-9-6-5-8-19(18)21/h5-6,8-11,15-16,28H,3-4,7,12-14H2,1-2H3,(H,27,30)(H,29,31)
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n/an/a 25n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 25n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 30 mins by HPLC analysis


Bioorg Med Chem Lett 25: 1436-42 (2015)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 26n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 60 mins by HPLC analysis


Bioorg Med Chem Lett 25: 1436-42 (2015)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Homo sapiens (human))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 28n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 90 mins by HPLC analysis


Bioorg Med Chem Lett 25: 1436-42 (2015)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442947
PNG
(CHEMBL3087185)
Show SMILES COc1nn(C(C)c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-12(19-17(20)23-16(18-19)21-2)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 34n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50442947
PNG
(CHEMBL3087185)
Show SMILES COc1nn(C(C)c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-12(19-17(20)23-16(18-19)21-2)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 34n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins bef...


J Med Chem 56: 8484-96 (2013)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
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