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Compile Data Set for Download or QSAR

Found 1191 hits of ki data for polymerid = 2326,3113,354   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50166866
PNG
(CHEMBL3798156)
Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3
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0.00700n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)

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


(Homo sapiens (Human))
BDBM50166867
PNG
(CHEMBL3798476)
Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262420
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C20H21N3OS/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.0500n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)

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


(Homo sapiens (Human))
BDBM50166877
PNG
(CHEMBL3798594)
Show SMILES Cc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H23NO5/c1-14-10-21(26)24(22(27)11-14)19-8-6-17(7-9-19)23(28)29-13-20(25)18-5-4-15(2)16(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3
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0.0560n/an/an/an/an/an/an/an/a



E.I. Du Pont de Nemours and Company

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...


Bioorg Med Chem Lett 26: 2965-2973 (2016)

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


(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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0.0940n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH


Bioorg Med Chem 16: 1562-95 (2008)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50052789
PNG
(CHEMBL3318616)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C22H21N5O2/c23-14-19-15-24-27(17-19)22(28)26-12-10-25(11-13-26)16-18-6-8-21(9-7-18)29-20-4-2-1-3-5-20/h1-9,15,17H,10-13,16H2
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0.100n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant rat FAAH preincubated for 3 hrs


Bioorg Med Chem Lett 24: 3807-13 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50163152
PNG
(1-Oxazolo[4,5-b]pyridin-2-yl-octadec-9-yn-1-one | ...)
Show SMILES CCCCCCCCC#CCCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C24H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h17,19-20H,2-8,11-16,18H2,1H3
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0.140n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50395423
PNG
(CHEMBL2165084)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C24H27N3O3/c25-23(28)20-14-16-27(18-20)21-12-8-13-22(17-21)30-24(29)26-15-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,8,10-14,16-18H,1-2,4,7,9,15H2,(H2,25,28)(H,26,29)
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0.160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...


J Med Chem 55: 6898-915 (2012)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50052783
PNG
(CHEMBL3318605)
Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C20H19N5O/c21-12-17-13-22-25(15-17)20(26)24-9-7-23(8-10-24)14-16-5-6-18-3-1-2-4-19(18)11-16/h1-6,11,13,15H,7-10,14H2
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0.160n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant rat FAAH preincubated for 3 hrs


Bioorg Med Chem Lett 24: 3807-13 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50052768
PNG
(CHEMBL3318613)
Show SMILES O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C23H23N5O2/c24-14-21-15-25-28(17-21)23(29)27-12-10-26(11-13-27)16-19-6-8-22(9-7-19)30-18-20-4-2-1-3-5-20/h1-9,15,17H,10-13,16,18H2
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0.160n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat FAAH preincubated for 3 hrs


Bioorg Med Chem Lett 24: 3807-13 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50395424
PNG
(CHEMBL2165083)
Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1
Show InChI InChI=1S/C23H29N3O3/c1-2-3-4-5-6-7-8-9-10-15-25-23(28)29-21-13-11-12-20(17-21)26-16-14-19(18-26)22(24)27/h1,11-14,16-18H,3-10,15H2,(H2,24,27)(H,25,28)
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0.180n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea...


J Med Chem 55: 6898-915 (2012)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50052771
PNG
(CHEMBL3318617)
Show SMILES O=C(N1CCN(Cc2ccc(cc2)-c2ccccc2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C22H21N5O/c23-14-19-15-24-27(17-19)22(28)26-12-10-25(11-13-26)16-18-6-8-21(9-7-18)20-4-2-1-3-5-20/h1-9,15,17H,10-13,16H2
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0.190n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat FAAH preincubated for 3 hrs


Bioorg Med Chem Lett 24: 3807-13 (2014)

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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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
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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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)

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


(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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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)

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


(Homo sapiens (Human))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem 16: 1562-95 (2008)

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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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem 16: 1562-95 (2008)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448897
PNG
(CHEMBL3125304)
Show SMILES BrCc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 1 hr by Dixo...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448894
PNG
(CHEMBL3125313)
Show SMILES CCOS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C25H28N2O5S/c1-2-31-33(29,30)17-16-21-14-15-22(26-18-21)24-19-27-25(32-24)23(28)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-19H,2-4,6,9-10,13H2,1H3
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 6 hrs by Dix...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448897
PNG
(CHEMBL3125304)
Show SMILES BrCc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 6 hrs by Dix...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448897
PNG
(CHEMBL3125304)
Show SMILES BrCc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 3 hrs by Dix...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)

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


(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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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 21: 4674-85 (2011)

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


(Homo sapiens (Human))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.260n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed COS7 cells


J Med Chem 51: 937-47 (2008)

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


(Homo sapiens (Human))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.260n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH


Bioorg Med Chem 16: 1562-95 (2008)

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


(Homo sapiens (Human))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)

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


(Homo sapiens (Human))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 21: 4674-85 (2011)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem 16: 1562-95 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50052785
PNG
(CHEMBL3318607)
Show SMILES Ic1cnn(c1)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C19H19IN4O/c20-18-12-21-24(14-18)19(25)23-9-7-22(8-10-23)13-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-12,14H,7-10,13H2
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0.290n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant rat FAAH preincubated for 3 hrs


Bioorg Med Chem Lett 24: 3807-13 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161528
PNG
(8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C20H22N2O3/c23-17(19-21-22-20(25-19)18-14-9-15-24-18)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2
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0.290n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)

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


(Homo sapiens (Human))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448893
PNG
(CHEMBL3125287)
Show SMILES CS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c1-31(28,29)16-15-20-13-14-21(25-17-20)23-18-26-24(30-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3
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0.300n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 3 hrs by Dix...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448894
PNG
(CHEMBL3125313)
Show SMILES CCOS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C25H28N2O5S/c1-2-31-33(29,30)17-16-21-14-15-22(26-18-21)24-19-27-25(32-24)23(28)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-19H,2-4,6,9-10,13H2,1H3
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0.300n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 3 hrs by Dix...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448894
PNG
(CHEMBL3125313)
Show SMILES CCOS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C25H28N2O5S/c1-2-31-33(29,30)17-16-21-14-15-22(26-18-21)24-19-27-25(32-24)23(28)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-19H,2-4,6,9-10,13H2,1H3
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0.300n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 1 hr by Dixo...


J Med Chem 57: 1079-89 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50448893
PNG
(CHEMBL3125287)
Show SMILES CS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c1-31(28,29)16-15-20-13-14-21(25-17-20)23-18-26-24(30-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3
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0.300n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 6 hrs by Dix...


J Med Chem 57: 1079-89 (2014)

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


(Homo sapiens (Human))
BDBM50275119
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-on...)
Show SMILES O=C(CCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C17H16N2O2/c20-14(10-5-4-9-13-7-2-1-3-8-13)17-19-16-15(21-17)11-6-12-18-16/h1-3,6-8,11-12H,4-5,9-10H2
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0.300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)

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


(Homo sapiens (Human))
BDBM50275119
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-on...)
Show SMILES O=C(CCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C17H16N2O2/c20-14(10-5-4-9-13-7-2-1-3-8-13)17-19-16-15(21-17)11-6-12-18-16/h1-3,6-8,11-12H,4-5,9-10H2
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0.300n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 21: 4674-85 (2011)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262032
PNG
(3-(Biphenyl-4-yl)-1-(5-(pyridin-2-yl)-1,3,4-oxadia...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c26-20(22-25-24-21(27-22)19-8-4-5-15-23-19)14-11-16-9-12-18(13-10-16)17-6-2-1-3-7-17/h1-10,12-13,15H,11,14H2
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0.300n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262244
PNG
(1-(1-Methyl-1H-tetrazol-5-yl)-7-phenylheptan-1-one...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-22-19(23-25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.340n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262244
PNG
(1-(1-Methyl-1H-tetrazol-5-yl)-7-phenylheptan-1-one...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-22-19(23-25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.340n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50052786
PNG
(CHEMBL3318610)
Show SMILES COC(=O)c1cnn(c1)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C21H22N4O3/c1-28-20(26)19-13-22-25(15-19)21(27)24-10-8-23(9-11-24)14-16-6-7-17-4-2-3-5-18(17)12-16/h2-7,12-13,15H,8-11,14H2,1H3
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0.360n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of recombinant rat FAAH preincubated for 3 hrs


Bioorg Med Chem Lett 24: 3807-13 (2014)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261990
PNG
(1-(3-(6-Cyanopiridin-2-yl)-1,2,4-oxadiazol-5-yl)-7...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1cccc(n1)C#N
Show InChI InChI=1S/C21H20N4O2/c22-15-17-12-8-13-18(23-17)20-24-21(27-25-20)19(26)14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13H,1-2,4,7,9,14H2
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0.380n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)

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


(Homo sapiens (Human))
BDBM50161520
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C20H22N2O2/c23-17(20-22-19-18(24-20)14-9-15-21-19)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2
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0.390n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 51: 7327-43 (2009)

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


(Homo sapiens (Human))
BDBM50161520
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C20H22N2O2/c23-17(20-22-19-18(24-20)14-9-15-21-19)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2
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0.390n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH


Bioorg Med Chem Lett 21: 4674-85 (2011)

More data for this
Ligand-Target Pair
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