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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'hedberg' and Initial = 'c'   
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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM23120
PNG
(7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
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4.70n/an/an/an/an/an/an/an/a



Max-Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


Bioorg Med Chem 20: 1100-12 (2012)


Article DOI: 10.1016/j.bmc.2011.11.027
BindingDB Entry DOI: 10.7270/Q2G16191
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50073975
PNG
(1,1,1-Trifluoro-tridecan-2-one | 1,1,1-trifluorotr...)
Show SMILES CCCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3O/c1-2-3-4-5-6-7-8-9-10-11-12(17)13(14,15)16/h2-11H2,1H3
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140n/an/an/an/an/an/an/an/a



Max-Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem 20: 1100-12 (2012)


Article DOI: 10.1016/j.bmc.2011.11.027
BindingDB Entry DOI: 10.7270/Q2G16191
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50073977
PNG
(1,1,1-Trifluoro-nonan-2-one | 1,1,1-trifluorononan...)
Show SMILES CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O/c1-2-3-4-5-6-7-8(13)9(10,11)12/h2-7H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Max-Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem 20: 1100-12 (2012)


Article DOI: 10.1016/j.bmc.2011.11.027
BindingDB Entry DOI: 10.7270/Q2G16191
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(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 0.5n/an/an/an/an/an/a



Max-Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of rat intact neuron FAAH


Bioorg Med Chem 20: 1100-12 (2012)


Article DOI: 10.1016/j.bmc.2011.11.027
BindingDB Entry DOI: 10.7270/Q2G16191
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339871
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O |r|
Show InChI InChI=1S/C21H21ClN6OS/c1-2-27-16-6-3-10-23-19(16)28(21(27)29)14-5-4-12-26(13-14)20-24-11-9-15(25-20)17-7-8-18(22)30-17/h3,6-11,14H,2,4-5,12-13H2,1H3/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50244890
PNG
(CHEMBL472535 | N-(2-fluorophenyl)-4-(3-phenyl-1,2,...)
Show SMILES Fc1ccccc1NC(=O)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C19H18FN5OS/c20-15-8-4-5-9-16(15)21-18(26)24-10-12-25(13-11-24)19-22-17(23-27-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,26)
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339874
PNG
(2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)p...)
Show SMILES Cc1c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CC#N
Show InChI InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339875
PNG
((S)-2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-...)
Show SMILES Cc1c([C@@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CCO |r|
Show InChI InChI=1S/C27H27N5OS/c1-18-25(21-8-4-11-28-26(21)32(18)14-15-33)20-7-5-13-31(17-20)27-29-12-10-22(30-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-12,16,20,33H,5,7,13-15,17H2,1H3/t20-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339873
PNG
((S)-3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c1=O |r|
Show InChI InChI=1S/C25H24N6OS/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339872
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES FC(F)(F)Cn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O |r|
Show InChI InChI=1S/C21H18ClF3N6OS/c22-17-6-5-16(33-17)14-7-9-27-19(28-14)29-10-2-3-13(11-29)31-18-15(4-1-8-26-18)30(20(31)32)12-21(23,24)25/h1,4-9,13H,2-3,10-12H2/t13-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
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 2.90n/an/an/an/an/an/a



Max-Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain microsome FAAH assessed as reduction in 4-pyren-1-ylbutanoic acid release after 60 mins by reverse phase HPLC-...


Bioorg Med Chem 20: 1100-12 (2012)


Article DOI: 10.1016/j.bmc.2011.11.027
BindingDB Entry DOI: 10.7270/Q2G16191
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(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 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339875
PNG
((S)-2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-...)
Show SMILES Cc1c([C@@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CCO |r|
Show InChI InChI=1S/C27H27N5OS/c1-18-25(21-8-4-11-28-26(21)32(18)14-15-33)20-7-5-13-31(17-20)27-29-12-10-22(30-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-12,16,20,33H,5,7,13-15,17H2,1H3/t20-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50244890
PNG
(CHEMBL472535 | N-(2-fluorophenyl)-4-(3-phenyl-1,2,...)
Show SMILES Fc1ccccc1NC(=O)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C19H18FN5OS/c20-15-8-4-5-9-16(15)21-18(26)24-10-12-25(13-11-24)19-22-17(23-27-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,26)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339871
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O |r|
Show InChI InChI=1S/C21H21ClN6OS/c1-2-27-16-6-3-10-23-19(16)28(21(27)29)14-5-4-12-26(13-14)20-24-11-9-15(25-20)17-7-8-18(22)30-17/h3,6-11,14H,2,4-5,12-13H2,1H3/t14-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
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 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(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 4.60n/an/an/an/an/an/a



Max-Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of rat brain membrane FAAH


Bioorg Med Chem 20: 1100-12 (2012)


Article DOI: 10.1016/j.bmc.2011.11.027
BindingDB Entry DOI: 10.7270/Q2G16191
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339876
PNG
(6-bromo-N-(2-fluorophenyl)-4H-spiro[benzo[d][1,3]d...)
Show SMILES Fc1ccccc1NC(=O)N1CCC2(CC1)OCc1cc(Br)ccc1O2
Show InChI InChI=1S/C19H18BrFN2O3/c20-14-5-6-17-13(11-14)12-25-19(26-17)7-9-23(10-8-19)18(24)22-16-4-2-1-3-15(16)21/h1-6,11H,7-10,12H2,(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339877
PNG
(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)pipe...)
Show SMILES Cc1[nH]c2ncccc2c1C1CCCN(C1)c1nccc(n1)-c1cc2ccccc2s1
Show InChI InChI=1S/C25H23N5S/c1-16-23(19-8-4-11-26-24(19)28-16)18-7-5-13-30(15-18)25-27-12-10-20(29-25)22-14-17-6-2-3-9-21(17)31-22/h2-4,6,8-12,14,18H,5,7,13,15H2,1H3,(H,26,28)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339878
PNG
((S)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperi...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O |r|
Show InChI InChI=1S/C25H24N6O2/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339872
PNG
((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES FC(F)(F)Cn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O |r|
Show InChI InChI=1S/C21H18ClF3N6OS/c22-17-6-5-16(33-17)14-7-9-27-19(28-14)29-10-2-3-13(11-29)31-18-15(4-1-8-26-18)30(20(31)32)12-21(23,24)25/h1,4-9,13H,2-3,10-12H2/t13-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339879
PNG
((R)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperi...)
Show SMILES CCn1c2cccnc2n([C@@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O |r|
Show InChI InChI=1S/C25H24N6O2/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339881
PNG
(2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)p...)
Show SMILES N#CCn1cc(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc12
Show InChI InChI=1S/C26H22N6S/c27-10-14-31-17-21(20-7-3-11-28-25(20)31)19-6-4-13-32(16-19)26-29-12-9-22(30-26)24-15-18-5-1-2-8-23(18)33-24/h1-3,5,7-9,11-12,15,17,19H,4,6,13-14,16H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339880
PNG
(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)pipe...)
Show SMILES Cn1cc(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc12
Show InChI InChI=1S/C25H23N5S/c1-29-16-20(19-8-4-11-26-24(19)29)18-7-5-13-30(15-18)25-27-12-10-21(28-25)23-14-17-6-2-3-9-22(17)31-23/h2-4,6,8-12,14,16,18H,5,7,13,15H2,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339882
PNG
((S)-3-(1-(2-amino-6-(benzofuran-2-yl)pyrimidin-4-y...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2cc(nc(N)n2)-c2cc3ccccc3o2)c1=O |r|
Show InChI InChI=1S/C25H25N7O2/c1-2-31-19-9-5-11-27-23(19)32(25(31)33)17-8-6-12-30(15-17)22-14-18(28-24(26)29-22)21-13-16-7-3-4-10-20(16)34-21/h3-5,7,9-11,13-14,17H,2,6,8,12,15H2,1H3,(H2,26,28,29)/t17-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339883
PNG
((S)-1-ethyl-3-(1-(2-(4-fluorophenyl)pyrimidin-4-yl...)
Show SMILES CCn1c2ccccc2n([C@H]2CCCN(C2)c2ccnc(n2)-c2ccc(F)cc2)c1=O |r|
Show InChI InChI=1S/C24H24FN5O/c1-2-29-20-7-3-4-8-21(20)30(24(29)31)19-6-5-15-28(16-19)22-13-14-26-23(27-22)17-9-11-18(25)12-10-17/h3-4,7-14,19H,2,5-6,15-16H2,1H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339884
PNG
((S)-1-ethyl-3-(1-(4-(4-fluorophenyl)pyrimidin-2-yl...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(F)cc2)c1=O |r|
Show InChI InChI=1S/C23H23FN6O/c1-2-29-20-6-3-12-25-21(20)30(23(29)31)18-5-4-14-28(15-18)22-26-13-11-19(27-22)16-7-9-17(24)10-8-16/h3,6-13,18H,2,4-5,14-15H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339879
PNG
((R)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperi...)
Show SMILES CCn1c2cccnc2n([C@@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O |r|
Show InChI InChI=1S/C25H24N6O2/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50244718
PNG
(CHEMBL460273 | JNJ-1661010 | N-phenyl-4-(3-phenyl-...)
Show SMILES O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339885
PNG
(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)pipe...)
Show SMILES CCn1c(C)c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc12
Show InChI InChI=1S/C27H27N5S/c1-3-32-18(2)25(21-10-6-13-28-26(21)32)20-9-7-15-31(17-20)27-29-14-12-22(30-27)24-16-19-8-4-5-11-23(19)33-24/h4-6,8,10-14,16,20H,3,7,9,15,17H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339886
PNG
((S)-3-(1-(2-amino-6-(4-fluorophenyl)pyrimidin-4-yl...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2cc(nc(N)n2)-c2ccc(F)cc2)c1=O |r|
Show InChI InChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50161517
PNG
(6-Phenyl-1-(5-pyridin-2-yl-oxazol-2-yl)-hexan-1-on...)
Show SMILES O=C(CCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2/c23-18(13-6-2-5-11-16-9-3-1-4-10-16)20-22-15-19(24-20)17-12-7-8-14-21-17/h1,3-4,7-10,12,14-15H,2,5-6,11,13H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373826
PNG
(CHEMBL256470)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339874
PNG
(2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)p...)
Show SMILES Cc1c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CC#N
Show InChI InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339878
PNG
((S)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperi...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O |r|
Show InChI InChI=1S/C25H24N6O2/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161517
PNG
(6-Phenyl-1-(5-pyridin-2-yl-oxazol-2-yl)-hexan-1-on...)
Show SMILES O=C(CCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2/c23-18(13-6-2-5-11-16-9-3-1-4-10-16)20-22-15-19(24-20)17-12-7-8-14-21-17/h1,3-4,7-10,12,14-15H,2,5-6,11,13H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339873
PNG
((S)-3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c1=O |r|
Show InChI InChI=1S/C25H24N6OS/c1-2-30-20-9-5-12-26-23(20)31(25(30)32)18-8-6-14-29(16-18)24-27-13-11-19(28-24)22-15-17-7-3-4-10-21(17)33-22/h3-5,7,9-13,15,18H,2,6,8,14,16H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339889
PNG
((S)-1-(1-(2-(benzofuran-2-yl)pyrimidin-4-yl)piperi...)
Show SMILES CCn1c2ccccc2n([C@H]2CCCN(C2)c2ccnc(n2)-c2cc3ccccc3o2)c1=O |r|
Show InChI InChI=1S/C26H25N5O2/c1-2-30-20-10-4-5-11-21(20)31(26(30)32)19-9-7-15-29(17-19)24-13-14-27-25(28-24)23-16-18-8-3-6-12-22(18)33-23/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339890
PNG
((S)-1-(1-(2-(4-chlorophenyl)pyrimidin-4-yl)piperid...)
Show SMILES CCn1c2ccccc2n([C@H]2CCCN(C2)c2ccnc(n2)-c2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C24H24ClN5O/c1-2-29-20-7-3-4-8-21(20)30(24(29)31)19-6-5-15-28(16-19)22-13-14-26-23(27-22)17-9-11-18(25)12-10-17/h3-4,7-14,19H,2,5-6,15-16H2,1H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339891
PNG
((S)-1-ethyl-3-(1-(4-(thiophen-2-yl)pyrimidin-2-yl)...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2cccs2)c1=O |r|
Show InChI InChI=1S/C21H22N6OS/c1-2-26-17-7-3-10-22-19(17)27(21(26)28)15-6-4-12-25(14-15)20-23-11-9-16(24-20)18-8-5-13-29-18/h3,5,7-11,13,15H,2,4,6,12,14H2,1H3/t15-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339887
PNG
(1-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-...)
Show SMILES Cn1c2ccccc2n(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O
Show InChI InChI=1S/C25H23N5O2/c1-28-20-9-3-4-10-21(20)30(25(28)31)18-8-6-14-29(16-18)24-26-13-12-19(27-24)23-15-17-7-2-5-11-22(17)32-23/h2-5,7,9-13,15,18H,6,8,14,16H2,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339888
PNG
(1-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-...)
Show SMILES CCn1c2ccccc2n(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3o2)c1=O
Show InChI InChI=1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339884
PNG
((S)-1-ethyl-3-(1-(4-(4-fluorophenyl)pyrimidin-2-yl...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(F)cc2)c1=O |r|
Show InChI InChI=1S/C23H23FN6O/c1-2-29-20-6-3-12-25-21(20)30(23(29)31)18-5-4-14-28(15-18)22-26-13-11-19(27-22)16-7-9-17(24)10-8-16/h3,6-13,18H,2,4-5,14-15H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50373827
PNG
(CHEMBL270865)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C20H24ClN5O2S2/c1-14-12-29-19-18(14)22-13-23-20(19)24-15(2)11-25-6-8-26(9-7-25)30(27,28)17-5-3-4-16(21)10-17/h3-5,10,12-13,15H,6-9,11H2,1-2H3,(H,22,23,24)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339876
PNG
(6-bromo-N-(2-fluorophenyl)-4H-spiro[benzo[d][1,3]d...)
Show SMILES Fc1ccccc1NC(=O)N1CCC2(CC1)OCc1cc(Br)ccc1O2
Show InChI InChI=1S/C19H18BrFN2O3/c20-14-5-6-17-13(11-14)12-25-19(26-17)7-9-23(10-8-19)18(24)22-16-4-2-1-3-15(16)21/h1-6,11H,7-10,12H2,(H,22,24)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339875
PNG
((S)-2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-...)
Show SMILES Cc1c([C@@H]2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CCO |r|
Show InChI InChI=1S/C27H27N5OS/c1-18-25(21-8-4-11-28-26(21)32(18)14-15-33)20-7-5-13-31(17-20)27-29-12-10-22(30-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-12,16,20,33H,5,7,13-15,17H2,1H3/t20-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339892
PNG
((S)-1-ethyl-3-(1-(2-p-tolylpyrimidin-4-yl)piperidi...)
Show SMILES CCn1c2ccccc2n([C@H]2CCCN(C2)c2ccnc(n2)-c2ccc(C)cc2)c1=O |r|
Show InChI InChI=1S/C25H27N5O/c1-3-29-21-8-4-5-9-22(21)30(25(29)31)20-7-6-16-28(17-20)23-14-15-26-24(27-23)19-12-10-18(2)11-13-19/h4-5,8-15,20H,3,6-7,16-17H2,1-2H3/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50373831
PNG
(CHEMBL272087)
Show SMILES COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C32H31NO6/c1-37-27-19-25(20-28(21-27)38-2)31(34)33(18-8-11-23-9-4-3-5-10-23)22-24-14-16-26(17-15-24)39-30-13-7-6-12-29(30)32(35)36/h3-7,9-10,12-17,19-21H,8,11,18,22H2,1-2H3,(H,35,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50339886
PNG
((S)-3-(1-(2-amino-6-(4-fluorophenyl)pyrimidin-4-yl...)
Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2cc(nc(N)n2)-c2ccc(F)cc2)c1=O |r|
Show InChI InChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50339894
PNG
((S)-1-ethyl-3-(1-(2-(3-fluorophenyl)pyrimidin-4-yl...)
Show SMILES CCn1c2ccccc2n([C@H]2CCCN(C2)c2ccnc(n2)-c2cccc(F)c2)c1=O |r|
Show InChI InChI=1S/C24H24FN5O/c1-2-29-20-10-3-4-11-21(20)30(24(29)31)19-9-6-14-28(16-19)22-12-13-26-23(27-22)17-7-5-8-18(25)15-17/h3-5,7-8,10-13,15,19H,2,6,9,14,16H2,1H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin


Bioorg Med Chem Lett 21: 2492-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.052
BindingDB Entry DOI: 10.7270/Q2BG2P9M
More data for this
Ligand-Target Pair
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