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Compile Data Set for Download or QSAR

Found 432 hits with Last Name = 'nevalainen' and Initial = 't'   
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295654
PNG
(CHEMBL559034 | Dodecylcarbamic acid 3-(1,2,3-thiad...)
Show SMILES CCCCCCCCCCCCNC(=O)Oc1cccc(c1)-c1csnn1
Show InChI InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-10-11-15-22-21(25)26-19-14-12-13-18(16-19)20-17-27-24-23-20/h12-14,16-17H,2-11,15H2,1H3,(H,22,25)
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n/an/a 0.240n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
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 0.360n/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)


Article DOI: 10.1016/j.bmcl.2015.02.037
BindingDB Entry DOI: 10.7270/Q20Z74Z4
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))
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
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
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
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
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
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
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 |THB:21:22:26.25:28|
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 3.80n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295649
PNG
(3-Methoxy-4-(hexylcarbamoyloxy)benzoic acid methyl...)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1OC)C(=O)OC
Show InChI InChI=1S/C16H23NO5/c1-4-5-6-7-10-17-16(19)22-13-9-8-12(15(18)21-3)11-14(13)20-2/h8-9,11H,4-7,10H2,1-3H3,(H,17,19)
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n/an/a 5.5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295660
PNG
(CHEMBL557234 | Dodecylcarbamic acid 4-(4,5-dihydro...)
Show SMILES CCCCCCCCCCCCNC(=O)Oc1ccc(cc1)C1=NCCS1 |t:23|
Show InChI InChI=1S/C22H34N2O2S/c1-2-3-4-5-6-7-8-9-10-11-16-24-22(25)26-20-14-12-19(13-15-20)21-23-17-18-27-21/h12-15H,2-11,16-18H2,1H3,(H,24,25)
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n/an/a 6.30n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295652
PNG
(CHEMBL551594 | n-Butylcarbamic acid 3-(1,2,3-thiad...)
Show SMILES CCCCNC(=O)Oc1cccc(c1)-c1csnn1
Show InChI InChI=1S/C13H15N3O2S/c1-2-3-7-14-13(17)18-11-6-4-5-10(8-11)12-9-19-16-15-12/h4-6,8-9H,2-3,7H2,1H3,(H,14,17)
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n/an/a 6.90n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
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 [30-579]


(Rattus norvegicus (rat))
BDBM50295659
PNG
(CHEMBL560119 | n-Hexylcarbamic acid 4-(4,5-dihydro...)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)C1=NCCS1 |t:17|
Show InChI InChI=1S/C16H22N2O2S/c1-2-3-4-5-10-18-16(19)20-14-8-6-13(7-9-14)15-17-11-12-21-15/h6-9H,2-5,10-12H2,1H3,(H,18,19)
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n/an/a 8.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 9.10n/an/an/an/a7.437



University of Oxford



Assay Description
[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
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 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)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
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 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)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
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
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 [30-579]


(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)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295656
PNG
(CHEMBL569368 | dodecylcarbamic acid 4-(1,2,3-thiad...)
Show SMILES CCCCCCCCCCCCNC(=O)Oc1ccc(cc1)-c1csnn1
Show InChI InChI=1S/C21H31N3O2S/c1-2-3-4-5-6-7-8-9-10-11-16-22-21(25)26-19-14-12-18(13-15-19)20-17-27-24-23-20/h12-15,17H,2-11,16H2,1H3,(H,22,25)
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n/an/a 12n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
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
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
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 [30-579]


(Rattus norvegicus (rat))
BDBM26143
PNG
(Alkenylboronic Acid, 22 | [(E)-2-(4-phenylphenyl)e...)
Show SMILES OB(O)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H13BO2/c16-15(17)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11,16-17H/b11-10+
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n/an/a 14n/an/an/an/a7.437



University of Oxford



Assay Description
[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
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))
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)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
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))
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)


Article DOI: 10.1021/jm400923s
BindingDB Entry DOI: 10.7270/Q29C6ZWQ
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295682
PNG
(4-(1,2,3-thiadiazol-4-yl)phenyl hexylcarbamate | C...)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)-c1csnn1
Show InChI InChI=1S/C15H19N3O2S/c1-2-3-4-5-10-16-15(19)20-13-8-6-12(7-9-13)14-11-21-18-17-14/h6-9,11H,2-5,10H2,1H3,(H,16,19)
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n/an/a 19n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295683
PNG
(CHEMBL557505 | Cyclopentylcarbamic acid 4-(1,2,3-t...)
Show SMILES O=C(NC1CCCC1)Oc1ccc(cc1)-c1csnn1
Show InChI InChI=1S/C14H15N3O2S/c18-14(15-11-3-1-2-4-11)19-12-7-5-10(6-8-12)13-9-20-17-16-13/h5-9,11H,1-4H2,(H,15,18)
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n/an/a 20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
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
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)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50500383
PNG
(CHEMBL3746420)
Show SMILES COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3
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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 GlyT1 (unknown origin) expressed in HEK293 cells by scintillation proximity assay


Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26132
PNG
((4-phenylphenyl)boranediol | Phenylboronic Acid, 1...)
Show SMILES OB(O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
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n/an/a 21n/an/an/an/a7.437



University of Oxford



Assay Description
[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase...


J Med Chem 51: 7057-60 (2008)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q25D8Q58
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50295684
PNG
(CHEMBL551719 | Cyclohexylcarbamic acid 4-(1,2,3-th...)
Show SMILES O=C(NC1CCCCC1)Oc1ccc(cc1)-c1csnn1
Show InChI InChI=1S/C15H17N3O2S/c19-15(16-12-4-2-1-3-5-12)20-13-8-6-11(7-9-13)14-10-21-18-17-14/h6-10,12H,1-5H2,(H,16,19)
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n/an/a 21n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting


Eur J Med Chem 44: 2994-3008 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.007
BindingDB Entry DOI: 10.7270/Q2VT1S5S
More data for this
Ligand-Target Pair
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