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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'holtfrerich' and Initial = 'a'   
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


(Homo sapiens (Human))
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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n/an/a 1n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 2n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human MAGL expressed in monkey COS7 cells


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
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 M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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n/an/a 4n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185348
PNG
(3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50277800
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-5-c...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ncc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C25H30N2O4/c1-2-3-4-5-6-7-8-19-9-12-23(13-10-19)31-18-22(28)17-27-24-14-11-20(25(29)30)15-21(24)16-26-27/h9-16H,2-8,17-18H2,1H3,(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432843
PNG
(CHEMBL2376224)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C14H14N6O/c1-18(2)14(21)20-16-13(15-17-20)11-5-7-12(8-6-11)19-9-3-4-10-19/h3-10H,1-2H3
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n/an/a 5n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432847
PNG
(CHEMBL2376220)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H14ClN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-6-8-13(9-7-11)24-14-5-3-4-12(17)10-14/h3-10H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50242634
PNG
(5-((biphenyl-4-yl)methyl)-N,N-dimethyl-2H-tetrazol...)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432856
PNG
(CHEMBL2376208)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H17N5O2/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 6n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain membranes preincubated for 30 mins


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432854
PNG
(CHEMBL2376210)
Show SMILES CN(C)C(=O)n1nnnc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H15N5O2/c1-20(2)16(22)21-15(17-18-19-21)12-8-10-14(11-9-12)23-13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 8n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAGL (unknown origin) expressed in monkey COS7 cells


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432841
PNG
(CHEMBL2376226)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C13H13N7O/c1-18(2)13(21)20-16-12(15-17-20)10-4-6-11(7-5-10)19-9-3-8-14-19/h3-9H,1-2H3
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n/an/a 8n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432836
PNG
(CHEMBL2376199)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1c(C)cc(C(C)=O)c1C
Show InChI InChI=1S/C18H20N6O2/c1-11-10-16(13(3)25)12(2)23(11)15-8-6-14(7-9-15)17-19-21-24(20-17)18(26)22(4)5/h6-10H,1-5H3
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n/an/a 9n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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n/an/a 9n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH from rat brain microsomes by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432855
PNG
(CHEMBL2376209)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C17H17N5O2/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432847
PNG
(CHEMBL2376220)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H14ClN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-6-8-13(9-7-11)24-14-5-3-4-12(17)10-14/h3-10H,1-2H3
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n/an/a 9n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432842
PNG
(CHEMBL2376225)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1c(C)ccc1C
Show InChI InChI=1S/C16H18N6O/c1-11-5-6-12(2)21(11)14-9-7-13(8-10-14)15-17-19-22(18-15)16(23)20(3)4/h5-10H,1-4H3
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n/an/a 9n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432848
PNG
(CHEMBL2376219)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C16H14FN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-6-8-13(9-7-11)24-14-5-3-4-12(17)10-14/h3-10H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432833
PNG
(CHEMBL2376202)
Show SMILES CCCCCC(=O)c1cc(C)n(c1C)-c1ccc(cc1)-c1nnn(n1)C(=O)N(C)C
Show InChI InChI=1S/C22H28N6O2/c1-6-7-8-9-20(29)19-14-15(2)27(16(19)3)18-12-10-17(11-13-18)21-23-25-28(24-21)22(30)26(4)5/h10-14H,6-9H2,1-5H3
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n/an/a 11n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432839
PNG
(CHEMBL2376228)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C15H16N6O/c1-19(2)15(22)21-17-14(16-18-21)13-7-5-12(6-8-13)11-20-9-3-4-10-20/h3-10H,11H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432844
PNG
(CHEMBL2376223)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C16H13Cl2N5O2/c1-22(2)16(24)23-20-15(19-21-23)10-3-5-11(6-4-10)25-12-7-8-13(17)14(18)9-12/h3-9H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432840
PNG
(CHEMBL2376227)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1ccc2ccccc12
Show InChI InChI=1S/C18H16N6O/c1-22(2)18(25)24-20-17(19-21-24)14-7-9-15(10-8-14)23-12-11-13-5-3-4-6-16(13)23/h3-12H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432853
PNG
(CHEMBL2376211)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H15N5O2/c1-20(2)16(22)21-18-15(17-19-21)12-8-10-14(11-9-12)23-13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50242634
PNG
(5-((biphenyl-4-yl)methyl)-N,N-dimethyl-2H-tetrazol...)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185351
PNG
(3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)
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n/an/a 12n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432839
PNG
(CHEMBL2376228)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C15H16N6O/c1-19(2)15(22)21-17-14(16-18-21)13-7-5-12(6-8-13)11-20-9-3-4-10-20/h3-10H,11H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432846
PNG
(CHEMBL2376221)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(C)c2)cc1
Show InChI InChI=1S/C17H17N5O2/c1-12-5-4-6-15(11-12)24-14-9-7-13(8-10-14)16-18-20-22(19-16)17(23)21(2)3/h4-11H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432849
PNG
(CHEMBL2376218)
Show SMILES COc1ccc(Oc2ccc(cc2)-c2nnn(n2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C17H17N5O3/c1-21(2)17(23)22-19-16(18-20-22)12-4-6-14(7-5-12)25-15-10-8-13(24-3)9-11-15/h4-11H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432852
PNG
(CHEMBL2376215)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H14FN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-3-7-13(8-4-11)24-14-9-5-12(17)6-10-14/h3-10H,1-2H3
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n/an/a 14n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432848
PNG
(CHEMBL2376219)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C16H14FN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-6-8-13(9-7-11)24-14-5-3-4-12(17)10-14/h3-10H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185345
PNG
(3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432845
PNG
(CHEMBL2376222)
Show SMILES COc1cccc(Oc2ccc(cc2)-c2nnn(n2)C(=O)N(C)C)c1
Show InChI InChI=1S/C17H17N5O3/c1-21(2)17(23)22-19-16(18-20-22)12-7-9-13(10-8-12)25-15-6-4-5-14(11-15)24-3/h4-11H,1-3H3
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n/an/a 15n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432843
PNG
(CHEMBL2376224)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C14H14N6O/c1-18(2)14(21)20-16-13(15-17-20)11-5-7-12(8-6-11)19-9-3-4-10-19/h3-10H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432846
PNG
(CHEMBL2376221)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2cccc(C)c2)cc1
Show InChI InChI=1S/C17H17N5O2/c1-12-5-4-6-15(11-12)24-14-9-7-13(8-10-14)16-18-20-22(19-16)17(23)21(2)3/h4-11H,1-3H3
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n/an/a 15n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432851
PNG
(CHEMBL2376216)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H14ClN5O2/c1-21(2)16(23)22-19-15(18-20-22)11-3-7-13(8-4-11)24-14-9-5-12(17)6-10-14/h3-10H,1-2H3
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n/an/a 16n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50277799
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-benzo[d][1,2...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-15-19(24(29)30)11-14-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185349
PNG
(3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)
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PubMed
n/an/a 16n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432855
PNG
(CHEMBL2376209)
Show SMILES CN(C)C(=O)n1nnc(Cc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C17H17N5O2/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432835
PNG
(CHEMBL2376200)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1c(C)cc(C(=O)c2ccccc2)c1C
Show InChI InChI=1S/C23H22N6O2/c1-15-14-20(21(30)17-8-6-5-7-9-17)16(2)28(15)19-12-10-18(11-13-19)22-24-26-29(25-22)23(31)27(3)4/h5-14H,1-4H3
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n/an/a 16n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH from rat brain microsomes by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432840
PNG
(CHEMBL2376227)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(cc1)-n1ccc2ccccc12
Show InChI InChI=1S/C18H16N6O/c1-22(2)18(25)24-20-17(19-21-24)14-7-9-15(10-8-14)23-12-11-13-5-3-4-6-16(13)23/h3-12H,1-2H3
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n/an/a 23n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50432850
PNG
(CHEMBL2376217)
Show SMILES CN(C)C(=O)n1nnc(n1)-c1ccc(Oc2ccc(C)cc2)cc1
Show InChI InChI=1S/C17H17N5O2/c1-12-4-8-14(9-5-12)24-15-10-6-13(7-11-15)16-18-20-22(19-16)17(23)21(2)3/h4-11H,1-3H3
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n/an/a 24n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic ac...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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PubMed
n/an/a 25n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL expressed in monkey COS7 cells


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50277833
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indazole-6-c...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ncc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C25H30N2O4/c1-2-3-4-5-6-7-8-19-9-13-23(14-10-19)31-18-22(28)17-27-24-15-20(25(29)30)11-12-21(24)16-26-27/h9-16H,2-8,17-18H2,1H3,(H,29,30)
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n/an/a 26n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50277798
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-benzo[d][1,2...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2nnc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-14-11-19(24(29)30)15-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)
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n/an/a 26n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432845
PNG
(CHEMBL2376222)
Show SMILES COc1cccc(Oc2ccc(cc2)-c2nnn(n2)C(=O)N(C)C)c1
Show InChI InChI=1S/C17H17N5O3/c1-21(2)17(23)22-19-16(18-20-22)12-7-9-13(10-8-12)25-15-6-4-5-14(11-15)24-3/h4-11H,1-3H3
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n/an/a 28n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
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