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Compile Data Set for Download or QSAR

Found 143 hits Enz. Inhib. hit(s) with Target = 'DNA Ligase I' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM23079
PNG
(3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2
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Article
PubMed
0.380 -53.2 0.300n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23078
PNG
(3-(4-phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2
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Article
PubMed
0.75 -51.6 0.700n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23061
PNG
(7-(3-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C21H21ClN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2
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Article
PubMed
0.900 -51.1 2n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23063
PNG
(7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxa...)
Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
Show InChI InChI=1S/C21H20Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-4,8,12H2
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Article
PubMed
0.900 -51.1 7n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23055
PNG
(alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyr...)
Show SMILES COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-12-7-6-11-17(18)10-4-2-3-5-14-20(26)22-25-16-21(29-22)19-13-8-9-15-24-19/h6-9,11-13,15-16H,2-5,10,14H2,1H3
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Article
PubMed
1 -50.9 0.400n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23073
PNG
(3-[4-(phenoxymethyl)phenyl]-1-[5-(pyridin-2-yl)-1,...)
Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2
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Article
PubMed
1 -50.9 2n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23053
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-10-7-9-16(14-17)8-3-1-2-4-12-19(28)21-27-15-20(29-21)18-11-5-6-13-26-18/h5-7,9-11,13-15H,1-4,8,12H2
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Article
PubMed
1 -50.9 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23069
PNG
(3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2
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Article
PubMed
1.30 -50.2 1n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23065
PNG
(7-(3-methanesulfonylphenyl)-1-[5-(pyridin-2-yl)-1,...)
Show SMILES CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O4S/c1-29(26,27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(28-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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Article
PubMed
1.30 -50.2 4n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23057
PNG
(alpha-ketooxazole, 5cc | methyl 4-{7-oxo-7-[5-(pyr...)
Show SMILES COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-13-11-17(12-14-18)8-4-2-3-5-10-20(26)22-25-16-21(29-22)19-9-6-7-15-24-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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Article
PubMed
1.5 -49.9 0.240n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23045
PNG
(7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H21FN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-4,9,13H2
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Article
PubMed
1.70 -49.6 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23056
PNG
(alpha-ketooxazole, 5bb | methyl 3-{7-oxo-7-[5-(pyr...)
Show SMILES COC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(26)22-25-16-21(29-22)19-12-6-7-14-24-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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Article
PubMed
1.90 -49.3 0.400n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23060
PNG
(7-(2-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H21ClN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-4,9,13H2
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Article
PubMed
1.90 -49.3 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23075
PNG
(3-[4-(phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-...)
Show SMILES O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H19N3O2/c27-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)26-18-6-2-1-3-7-18/h1-10,12-13,15-16,26H,11,14H2
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Article
PubMed
2 -49.2 5n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23077
PNG
(3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H18N2O2S/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)28-18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2
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Article
PubMed
2.20 -48.9 2n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23046
PNG
(7-(3-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C21H21FN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2
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Article
PubMed
2.20 -48.9 10n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23043
PNG
(alpha-ketooxazole, 5o | tert-butyl N-(3-{7-oxo-7-[...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-25(31)29-20-13-10-12-19(17-20)11-6-4-5-7-15-22(30)24-28-18-23(32-24)21-14-8-9-16-27-21/h8-10,12-14,16-18H,4-7,11,15H2,1-3H3,(H,29,31)
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Article
PubMed
2.40 -48.7n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23050
PNG
(7-[4-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H24N2O2S/c1-27-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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Article
PubMed
2.5 -48.6 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23039
PNG
(7-(3-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES COc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O3/c1-26-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(27-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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Article
PubMed
2.5 -48.6 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23030
PNG
(7-(naphthalen-1-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES O=C(CCCCCCc1cccc2ccccc12)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-15-7-8-17-26-22)16-4-2-1-3-10-19-12-9-13-20-11-5-6-14-21(19)20/h5-9,11-15,17-18H,1-4,10,16H2
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Article
PubMed
2.60 -48.5 10n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23062
PNG
(7-(4-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H21ClN2O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9H2
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Article
PubMed
2.70 -48.4 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23037
PNG
(7-(4-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H24N2O2/c1-17-11-13-18(14-12-17)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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PubMed
2.80 -48.3 40n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23042
PNG
(7-(4-aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Show SMILES Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H23N3O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9,22H2
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PubMed
3 -48.2 4n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23034
PNG
(7-(2-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Cc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H24N2O2/c1-17-10-6-7-12-18(17)11-4-2-3-5-14-20(25)22-24-16-21(26-22)19-13-8-9-15-23-19/h6-10,12-13,15-16H,2-5,11,14H2,1H3
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3 -48.2 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23117
PNG
(6-(phenylsulfanyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2S/c23-18(12-5-2-8-14-25-16-9-3-1-4-10-16)20-22-15-19(24-20)17-11-6-7-13-21-17/h1,3-4,6-7,9-11,13,15H,2,5,8,12,14H2
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3 -48.2n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23076
PNG
(3-(4-benzylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O2/c27-22(24-26-17-23(28-24)21-8-4-5-15-25-21)14-13-18-9-11-20(12-10-18)16-19-6-2-1-3-7-19/h1-12,15,17H,13-14,16H2
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PubMed
3.20 -48.0 3n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23047
PNG
(7-(4-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H21FN2O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9H2
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PubMed
3.20 -48.0 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23087
PNG
(7-(3-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H17FN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-2,4,12H2
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3.20 -48.0n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23048
PNG
(7-[2-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H24N2O2S/c1-27-21-14-7-6-11-17(21)10-4-2-3-5-13-19(25)22-24-16-20(26-22)18-12-8-9-15-23-18/h6-9,11-12,14-16H,2-5,10,13H2,1H3
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PubMed
3.30 -47.9 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23036
PNG
(7-(3-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Cc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O2/c1-17-9-8-11-18(15-17)10-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-9,11-12,14-16H,2-5,10,13H2,1H3
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3.30 -47.9 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23074
PNG
(3-(4-phenoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H18N2O3/c26-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)27-18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2
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PubMed
3.40 -47.8 2n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23054
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluo...)
Show SMILES FC(F)(F)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-12-10-16(11-13-17)7-3-1-2-4-9-19(28)21-27-15-20(29-21)18-8-5-6-14-26-18/h5-6,8,10-15H,1-4,7,9H2
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PubMed
4 -47.5 9n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23052
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[2-(trifluo...)
Show SMILES FC(F)(F)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-11-6-5-10-16(17)9-3-1-2-4-13-19(28)21-27-15-20(29-21)18-12-7-8-14-26-18/h5-8,10-12,14-15H,1-4,9,13H2
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PubMed
4 -47.5 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23103
PNG
(2-[(4-phenylbutyl)sulfanyl]-1-[5-(pyridin-2-yl)-1,...)
Show SMILES O=C(CSCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2S/c23-18(15-25-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(24-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2
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4 -47.5n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23049
PNG
(7-[3-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O2S/c1-27-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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PubMed
4.20 -47.3 10n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23027
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-2...)
Show SMILES O=C(CCCCCCc1cccs1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C19H20N2O2S/c22-17(11-4-2-1-3-8-15-9-7-13-24-15)19-21-14-18(23-19)16-10-5-6-12-20-16/h5-7,9-10,12-14H,1-4,8,11H2
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PubMed
4.30 -47.3 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
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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PubMed
4.70 -47.1 2n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23090
PNG
(7-(3-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Show SMILES [O-][N+](=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H17N3O4/c25-19(21-23-15-20(28-21)18-11-5-6-13-22-18)12-4-2-1-3-8-16-9-7-10-17(14-16)24(26)27/h5-7,9-11,13-15H,1-2,4,12H2
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PubMed
4.80 -47.0n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23101
PNG
(7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxa...)
Show SMILES Clc1cccc(C#CCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
Show InChI InChI=1S/C21H16Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-2,4,12H2
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PubMed
5 -46.9n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23029
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-3...)
Show SMILES O=C(CCCCCCc1ccsc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C19H20N2O2S/c22-17(9-4-2-1-3-7-15-10-12-24-14-15)19-21-13-18(23-19)16-8-5-6-11-20-16/h5-6,8,10-14H,1-4,7,9H2
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PubMed
5.10 -46.9 40n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23044
PNG
(alpha-ketooxazole, 5p | tert-butyl N-(4-{7-oxo-7-[...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-25(31)29-20-15-13-19(14-16-20)10-6-4-5-7-12-22(30)24-28-18-23(32-24)21-11-8-9-17-27-21/h8-9,11,13-18H,4-7,10,12H2,1-3H3,(H,29,31)
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PubMed
5.60 -46.6n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23038
PNG
(7-(2-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES COc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H24N2O3/c1-26-20-14-7-6-11-17(20)10-4-2-3-5-13-19(25)22-24-16-21(27-22)18-12-8-9-15-23-18/h6-9,11-12,14-16H,2-5,10,13H2,1H3
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PubMed
5.80 -46.5 10n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23040
PNG
(7-(4-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES COc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H24N2O3/c1-26-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(27-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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PubMed
6.20 -46.4 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23051
PNG
(7-(4-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Show SMILES [O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H21N3O4/c25-19(21-23-15-20(28-21)18-8-5-6-14-22-18)9-4-2-1-3-7-16-10-12-17(13-11-16)24(26)27/h5-6,8,10-15H,1-4,7,9H2
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PubMed
6.5 -46.3 0.5n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23067
PNG
(7-(4-hexylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Show SMILES CCCCCCc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C27H34N2O2/c1-2-3-4-7-12-22-16-18-23(19-17-22)13-8-5-6-9-15-25(30)27-29-21-26(31-27)24-14-10-11-20-28-24/h10-11,14,16-21H,2-9,12-13,15H2,1H3
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PubMed
6.70 -46.2 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23099
PNG
(7-(3-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-2,4,12H2
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PubMed
7 -46.1n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23086
PNG
(7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H17FN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-2,4,13H2
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PubMed
8 -45.7n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23124
PNG
(2-hydroxy-7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES OC(CCCCCc1ccccc1)C(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H22N2O3/c24-18(13-6-2-5-11-16-9-3-1-4-10-16)20(25)21-23-15-19(26-21)17-12-7-8-14-22-17/h1,3-4,7-10,12,14-15,18,24H,2,5-6,11,13H2
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PubMed
8 -45.7n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23093
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17F3N2O2/c23-22(24,25)17-10-7-9-16(14-17)8-3-1-2-4-12-19(28)21-27-15-20(29-21)18-11-5-6-13-26-18/h5-7,9-11,13-15H,1-2,4,12H2
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PubMed
10 -45.2n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (human))
BDBM23031
PNG
(7-(naphthalen-2-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-12-7-8-16-26-22)13-4-2-1-3-9-19-14-15-20-10-5-6-11-21(20)17-19/h5-8,10-12,14-18H,1-4,9,13H2
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PubMed
11 -45.0 40n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


Citation and Details
More data for this
Ligand-Target Pair
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