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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'aust' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073987
PNG
(1,1,1-Trifluoro-9-phenyl-nonan-2-one | 1,1,1-trifl...)
Show SMILES FC(F)(F)C(=O)CCCCCCCc1ccccc1
Show InChI InChI=1S/C15H19F3O/c16-15(17,18)14(19)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
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25n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50069273
PNG
((Z)-1,1,1-Trifluoro-nonadec-10-en-2-one | 1,1,1-tr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9-
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82n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073986
PNG
(1,1,1-Trifluoro-8-(4-heptyl-phenyl)-octan-2-one | ...)
Show SMILES CCCCCCCc1ccc(CCCCCCC(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-8-11-18-14-16-19(17-15-18)12-9-6-7-10-13-20(25)21(22,23)24/h14-17H,2-13H2,1H3
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96n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073974
PNG
(1,1,1-Trifluoro-8-phenyl-octan-2-one | 1,1,1-Trifl...)
Show SMILES FC(F)(F)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C14H17F3O/c15-14(16,17)13(18)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
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100n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073985
PNG
(1,1,1-Trifluoro-undecan-2-one | 1,1,1-trifluoround...)
Show SMILES CCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h2-9H2,1H3
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130n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073984
PNG
(1,1,1-Trifluoro-8-(3-hexyl-phenyl)-octan-2-one | C...)
Show SMILES CCCCCCc1cccc(CCCCCCC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H29F3O/c1-2-3-4-7-11-17-13-10-14-18(16-17)12-8-5-6-9-15-19(24)20(21,22)23/h10,13-14,16H,2-9,11-12,15H2,1H3
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140n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
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



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073989
PNG
(1,1,1-Trifluoro-7-phenyl-heptan-2-one | 1,1,1-Trif...)
Show SMILES FC(F)(F)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C13H15F3O/c14-13(15,16)12(17)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
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170n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073973
PNG
((E)-1,1,1-Trifluoro-nonadec-10-en-2-one | 1,1,1-Tr...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9+
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170n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073981
PNG
(1,1,1-Trifluoro-nonadecan-2-one | 1,1,1-trifluoron...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H35F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h2-17H2,1H3
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240n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073982
PNG
(1,1,1-Trifluoro-9-(2-octyl-phenyl)-nonan-2-one | C...)
Show SMILES CCCCCCCCc1ccccc1CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C23H35F3O/c1-2-3-4-5-7-10-15-20-17-13-14-18-21(20)16-11-8-6-9-12-19-22(27)23(24,25)26/h13-14,17-18H,2-12,15-16,19H2,1H3
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320n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073980
PNG
(5-((1R,6R)-6-Butoxymethyl-cyclohex-3-enylmethoxy)-...)
Show SMILES CCCCOC[C@@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F |c:8|
Show InChI InChI=1S/C17H27F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h4-5,14-15H,2-3,6-13H2,1H3/t14-,15-/m0/s1
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440n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073970
PNG
(1,1,1-Trifluoro-pentadecan-2-one | 1,1,1-trifluoro...)
Show SMILES CCCCCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(19)15(16,17)18/h2-13H2,1H3
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490n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073978
PNG
(5-((1R,6S)-6-Butoxymethyl-cyclohex-3-enylmethoxy)-...)
Show SMILES CCCCOC[C@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F |c:8|
Show InChI InChI=1S/C17H27F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h4-5,14-15H,2-3,6-13H2,1H3/t14-,15+/m1/s1
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570n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073990
PNG
(5-((1R,2S)-2-Butoxymethyl-cyclohexylmethoxy)-1,1,1...)
Show SMILES CCCCOC[C@H]1CCCC[C@H]1COCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C17H29F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h14-15H,2-13H2,1H3/t14-,15+/m1/s1
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780n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
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



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073971
PNG
(5-((1R,2R)-2-Butoxymethyl-cyclohexylmethoxy)-1,1,1...)
Show SMILES CCCCOC[C@@H]1CCCC[C@H]1COCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C17H29F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h14-15H,2-13H2,1H3/t14-,15-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073979
PNG
(1,1,1-Trifluoro-7-(2-hexyl-phenyl)-heptan-2-one | ...)
Show SMILES CCCCCCc1ccccc1CCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H27F3O/c1-2-3-4-6-11-16-13-9-10-14-17(16)12-7-5-8-15-18(23)19(20,21)22/h9-10,13-14H,2-8,11-12,15H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073983
PNG
(5-(3-Butyl-naphthalen-2-yl)-1,1,1-trifluoro-pentan...)
Show SMILES CCCCc1cc2ccccc2cc1CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H21F3O/c1-2-3-7-14-12-15-8-4-5-9-16(15)13-17(14)10-6-11-18(23)19(20,21)22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
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4.40E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073976
PNG
(1,1,1-Trifluoro-octan-2-one | 1,1,1-trifluorooctan...)
Show SMILES CCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C8H13F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h2-6H2,1H3
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1.07E+4n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073988
PNG
(1,1,1-Trifluoro-heptan-2-one | 1,1,1-trifluorohept...)
Show SMILES CCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C7H11F3O/c1-2-3-4-5-6(11)7(8,9)10/h2-5H2,1H3
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2.69E+4n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073972
PNG
((Z)-Nonadec-10-en-2-one | CHEMBL92219 | nonadec-10...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(C)=O
Show InChI InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h10-11H,3-9,12-18H2,1-2H3/b11-10-
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>1.00E+5n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073991
PNG
(3-(3-Ethyl-anthracen-2-yl)-1,1,1-trifluoro-propan-...)
Show SMILES CCc1cc2cc3ccccc3cc2cc1CC(=O)C(F)(F)F
Show InChI InChI=1S/C19H15F3O/c1-2-12-7-15-8-13-5-3-4-6-14(13)9-16(15)10-17(12)11-18(23)19(20,21)22/h3-10H,2,11H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM50293788
PNG
(CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31|
Show InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine


J Med Chem 52: 4400-18 (2009)


Article DOI: 10.1021/jm900305z
BindingDB Entry DOI: 10.7270/Q2CC10QM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 8n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...


Eur J Med Chem 48: 1-15 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.019
BindingDB Entry DOI: 10.7270/Q2W096CH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073987
PNG
(1,1,1-Trifluoro-9-phenyl-nonan-2-one | 1,1,1-trifl...)
Show SMILES FC(F)(F)C(=O)CCCCCCCc1ccccc1
Show InChI InChI=1S/C15H19F3O/c16-15(17,18)14(19)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
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n/an/a 120n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
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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n/an/a 130n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362095
PNG
(CHEMBL1738942)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nccs2)n(n1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)
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n/an/a 135n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...


Eur J Med Chem 48: 1-15 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.019
BindingDB Entry DOI: 10.7270/Q2W096CH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073974
PNG
(1,1,1-Trifluoro-8-phenyl-octan-2-one | 1,1,1-Trifl...)
Show SMILES FC(F)(F)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C14H17F3O/c15-14(16,17)13(18)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
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n/an/a 450n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50069273
PNG
((Z)-1,1,1-Trifluoro-nonadec-10-en-2-one | 1,1,1-tr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9-
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n/an/a 460n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073986
PNG
(1,1,1-Trifluoro-8-(4-heptyl-phenyl)-octan-2-one | ...)
Show SMILES CCCCCCCc1ccc(CCCCCCC(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-8-11-18-14-16-19(17-15-18)12-9-6-7-10-13-20(25)21(22,23)24/h14-17H,2-13H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073985
PNG
(1,1,1-Trifluoro-undecan-2-one | 1,1,1-trifluoround...)
Show SMILES CCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362096
PNG
(CHEMBL1940499)
Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)
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n/an/a 639n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...


Eur J Med Chem 48: 1-15 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.019
BindingDB Entry DOI: 10.7270/Q2W096CH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073984
PNG
(1,1,1-Trifluoro-8-(3-hexyl-phenyl)-octan-2-one | C...)
Show SMILES CCCCCCc1cccc(CCCCCCC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H29F3O/c1-2-3-4-7-11-17-13-10-14-18(16-17)12-8-5-6-9-15-19(24)20(21,22)23/h10,13-14,16H,2-9,11-12,15H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073973
PNG
((E)-1,1,1-Trifluoro-nonadec-10-en-2-one | 1,1,1-Tr...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9+
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n/an/a 780n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073989
PNG
(1,1,1-Trifluoro-7-phenyl-heptan-2-one | 1,1,1-Trif...)
Show SMILES FC(F)(F)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C13H15F3O/c14-13(15,16)12(17)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
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n/an/a 840n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073981
PNG
(1,1,1-Trifluoro-nonadecan-2-one | 1,1,1-trifluoron...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H35F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h2-17H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073970
PNG
(1,1,1-Trifluoro-pentadecan-2-one | 1,1,1-trifluoro...)
Show SMILES CCCCCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(19)15(16,17)18/h2-13H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073980
PNG
(5-((1R,6R)-6-Butoxymethyl-cyclohex-3-enylmethoxy)-...)
Show SMILES CCCCOC[C@@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F |c:8|
Show InChI InChI=1S/C17H27F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h4-5,14-15H,2-3,6-13H2,1H3/t14-,15-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073982
PNG
(1,1,1-Trifluoro-9-(2-octyl-phenyl)-nonan-2-one | C...)
Show SMILES CCCCCCCCc1ccccc1CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C23H35F3O/c1-2-3-4-5-7-10-15-20-17-13-14-18-21(20)16-11-8-6-9-12-19-22(27)23(24,25)26/h13-14,17-18H,2-12,15-16,19H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073978
PNG
(5-((1R,6S)-6-Butoxymethyl-cyclohex-3-enylmethoxy)-...)
Show SMILES CCCCOC[C@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F |c:8|
Show InChI InChI=1S/C17H27F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h4-5,14-15H,2-3,6-13H2,1H3/t14-,15+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362100
PNG
(CHEMBL1940501)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2cccnc2)cs1)C(C)(C)C
Show InChI InChI=1S/C26H30N6O2S/c1-18-7-9-21(10-8-18)32-23(14-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-13-34-16-19-6-5-12-27-15-19/h5-10,12,14-15,17H,11,13,16H2,1-4H3,(H2,28,29,30,33)
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n/an/a 3.64E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...


Eur J Med Chem 48: 1-15 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.019
BindingDB Entry DOI: 10.7270/Q2W096CH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073990
PNG
(5-((1R,2S)-2-Butoxymethyl-cyclohexylmethoxy)-1,1,1...)
Show SMILES CCCCOC[C@H]1CCCC[C@H]1COCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C17H29F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h14-15H,2-13H2,1H3/t14-,15+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50362096
PNG
(CHEMBL1940499)
Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)
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Article
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-mediated MK2 phosphorylation in anisomysin-stimulated human HeLa cells after 2 hrs by immunoblot analysis


Eur J Med Chem 48: 1-15 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.019
BindingDB Entry DOI: 10.7270/Q2W096CH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
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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n/an/a 6.60E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073971
PNG
(5-((1R,2R)-2-Butoxymethyl-cyclohexylmethoxy)-1,1,1...)
Show SMILES CCCCOC[C@@H]1CCCC[C@H]1COCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C17H29F3O3/c1-2-3-10-22-12-14-7-4-5-8-15(14)13-23-11-6-9-16(21)17(18,19)20/h14-15H,2-13H2,1H3/t14-,15-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073979
PNG
(1,1,1-Trifluoro-7-(2-hexyl-phenyl)-heptan-2-one | ...)
Show SMILES CCCCCCc1ccccc1CCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H27F3O/c1-2-3-4-6-11-16-13-9-10-14-17(16)12-7-5-8-15-18(23)19(20,21)22/h9-10,13-14H,2-8,11-12,15H2,1H3
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n/an/a 1.31E+4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073983
PNG
(5-(3-Butyl-naphthalen-2-yl)-1,1,1-trifluoro-pentan...)
Show SMILES CCCCc1cc2ccccc2cc1CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H21F3O/c1-2-3-7-14-12-15-8-4-5-9-16(15)13-17(14)10-6-11-18(23)19(20,21)22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
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n/an/a 3.01E+4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073976
PNG
(1,1,1-Trifluoro-octan-2-one | 1,1,1-trifluorooctan...)
Show SMILES CCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C8H13F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h2-6H2,1H3
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n/an/a 5.28E+4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50073991
PNG
(3-(3-Ethyl-anthracen-2-yl)-1,1,1-trifluoro-propan-...)
Show SMILES CCc1cc2cc3ccccc3cc2cc1CC(=O)C(F)(F)F
Show InChI InChI=1S/C19H15F3O/c1-2-12-7-15-8-13-5-3-4-6-14(13)9-16(15)10-17(12)11-18(23)19(20,21)22/h3-10H,2,11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Fatty-acid amide hydrolase (FAAH) in rat liver


Bioorg Med Chem Lett 9: 265-70 (1999)


BindingDB Entry DOI: 10.7270/Q2CR5SJ6
More data for this
Ligand-Target Pair
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