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Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'medrano' and Initial = 'fj'   
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
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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500n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128871
PNG
(CHEMBL313154 | Chrysen-6-ylamine)
Show SMILES Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
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600n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128866
PNG
(2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...)
Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H
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2.20E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128872
PNG
(6-Fluoro-chrysene | CHEMBL83242)
Show SMILES Fc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11F/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
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2.80E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128866
PNG
(2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...)
Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H
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5.40E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128865
PNG
(6-Nitro-chrysene | CHEMBL82858)
Show SMILES [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
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6.70E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128870
PNG
(CHEMBL85685 | chrysene)
Show SMILES c1ccc2c(c1)ccc1c3ccccc3ccc21
Show InChI InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
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8.98E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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1.09E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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1.18E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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1.39E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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2.88E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant MAGL assessed as 7-hydroxycoumarin level using umbelliferyl arachidonate as substrate by luminescence...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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4.81E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 275n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 288n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379255
PNG
(CHEMBL2011480)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m0/s1
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n/an/a 339n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379255
PNG
(CHEMBL2011480)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379250
PNG
(CHEMBL2011307)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C17H16O3/c18-17(20-12-16-11-19-16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2
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n/an/a 589n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379250
PNG
(CHEMBL2011307)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C17H16O3/c18-17(20-12-16-11-19-16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2
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n/an/a 590n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 676n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379242
PNG
(CHEMBL2011482)
Show SMILES OCC(CO)OC(=O)Cc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C18H20O4/c19-12-17(13-20)22-18(21)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17,19-20H,10-13H2
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n/an/a 700n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379248
PNG
(CHEMBL2011309)
Show SMILES O=C(CCCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C19H20O3/c20-19(22-14-18-13-21-18)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2
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n/an/a 708n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379242
PNG
(CHEMBL2011482)
Show SMILES OCC(CO)OC(=O)Cc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C18H20O4/c19-12-17(13-20)22-18(21)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17,19-20H,10-13H2
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n/an/a 708n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379248
PNG
(CHEMBL2011309)
Show SMILES O=C(CCCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C19H20O3/c20-19(22-14-18-13-21-18)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2
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n/an/a 710n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379231
PNG
(CHEMBL2011319)
Show SMILES O=C(OCC1CCCCO1)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H22O3/c22-21(24-16-20-8-4-5-15-23-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-3,6-7,9-14,20H,4-5,8,15-16H2/b14-11+
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n/an/a 759n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379231
PNG
(CHEMBL2011319)
Show SMILES O=C(OCC1CCCCO1)\C=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H22O3/c22-21(24-16-20-8-4-5-15-23-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-3,6-7,9-14,20H,4-5,8,15-16H2/b14-11+
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n/an/a 760n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379251
PNG
(CHEMBL2011308)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2
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n/an/a 870n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379251
PNG
(CHEMBL2011308)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17H,8,11-13H2
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n/an/a 871n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379246
PNG
(CHEMBL2011481)
Show SMILES OCC(CO)OC(=O)CCCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26O4/c22-15-20(16-23)25-21(24)10-6-1-3-7-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20,22-23H,1,3,6-7,10,15-16H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379246
PNG
(CHEMBL2011481)
Show SMILES OCC(CO)OC(=O)CCCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26O4/c22-15-20(16-23)25-21(24)10-6-1-3-7-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20,22-23H,1,3,6-7,10,15-16H2
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n/an/a 1.55E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379252
PNG
(CHEMBL2011314)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)OCC1CCCCO1
Show InChI InChI=1S/C21H24O3/c22-21(24-16-20-8-4-5-15-23-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-3,6-7,9-10,12-13,20H,4-5,8,11,14-16H2
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n/an/a 1.55E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379252
PNG
(CHEMBL2011314)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)OCC1CCCCO1
Show InChI InChI=1S/C21H24O3/c22-21(24-16-20-8-4-5-15-23-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-3,6-7,9-10,12-13,20H,4-5,8,11,14-16H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379248
PNG
(CHEMBL2011309)
Show SMILES O=C(CCCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C19H20O3/c20-19(22-14-18-13-21-18)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379239
PNG
(CHEMBL2011477)
Show SMILES O=C(CCCCCc1ccc(cc1)-c1ccccc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C21H24O3/c22-21(24-16-20-15-23-20)10-6-1-3-7-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20H,1,3,6-7,10,15-16H2/t20-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379246
PNG
(CHEMBL2011481)
Show SMILES OCC(CO)OC(=O)CCCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26O4/c22-15-20(16-23)25-21(24)10-6-1-3-7-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20,22-23H,1,3,6-7,10,15-16H2
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n/an/a 1.86E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379248
PNG
(CHEMBL2011309)
Show SMILES O=C(CCCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C19H20O3/c20-19(22-14-18-13-21-18)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2
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n/an/a 1.86E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379239
PNG
(CHEMBL2011477)
Show SMILES O=C(CCCCCc1ccc(cc1)-c1ccccc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C21H24O3/c22-21(24-16-20-15-23-20)10-6-1-3-7-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20H,1,3,6-7,10,15-16H2/t20-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379246
PNG
(CHEMBL2011481)
Show SMILES OCC(CO)OC(=O)CCCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26O4/c22-15-20(16-23)25-21(24)10-6-1-3-7-17-11-13-19(14-12-17)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,20,22-23H,1,3,6-7,10,15-16H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50514962
PNG
(CHEMBL4443226)
Show SMILES CCCCCCCCN(CCC(=O)Nc1ccccc1)CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-2-3-4-5-6-13-20-29(21-18-25(30)27-23-14-9-7-10-15-23)22-19-26(31)28-24-16-11-8-12-17-24/h7-12,14-17H,2-6,13,18-22H2,1H3,(H,27,30)(H,28,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ICMT expressed in Sf9 insect cell membranes using biotin-farnesyl-L-cysteine as substrate preincubated for 15 mins fo...


J Med Chem 62: 6035-6046 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00145
BindingDB Entry DOI: 10.7270/Q23X8B01
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379234
PNG
(CHEMBL2011323)
Show SMILES O=C(CCc1ccc(Cc2ccccc2)cc1)OCC1CO1
Show InChI InChI=1S/C19H20O3/c20-19(22-14-18-13-21-18)11-10-15-6-8-17(9-7-15)12-16-4-2-1-3-5-16/h1-9,18H,10-14H2
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n/an/a 2.29E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50379234
PNG
(CHEMBL2011323)
Show SMILES O=C(CCc1ccc(Cc2ccccc2)cc1)OCC1CO1
Show InChI InChI=1S/C19H20O3/c20-19(22-14-18-13-21-18)11-10-15-6-8-17(9-7-15)12-16-4-2-1-3-5-16/h1-9,18H,10-14H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50379241
PNG
(CHEMBL2011479)
Show SMILES O=C(Cc1ccc(Cc2ccccc2)cc1)OC[C@H]1CO1 |r|
Show InChI InChI=1S/C18H18O3/c19-18(21-13-17-12-20-17)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m1/s1
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n/an/a 2.45E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microp...


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50379247
PNG
(CHEMBL2011310)
Show SMILES O=C(CCCCc1ccc(cc1)-c1ccccc1)OCC1CO1
Show InChI InChI=1S/C20H22O3/c21-20(23-15-19-14-22-19)9-5-4-6-16-10-12-18(13-11-16)17-7-2-1-3-8-17/h1-3,7-8,10-13,19H,4-6,9,14-15H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy


J Med Chem 55: 824-36 (2012)


Article DOI: 10.1021/jm201327p
BindingDB Entry DOI: 10.7270/Q2B27W9V
More data for this
Ligand-Target Pair
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