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Found 341 hits with Last Name = 'favia' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 0.0100n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 1n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone/11-deoxycorticosterone


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H12N2O2S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H3,10,11)
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n/an/a 2.60n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Show InChI InChI=1S/C9H12N2O/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2,(H3,10,11)
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n/an/a 3.30n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H12N2O2S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H3,10,11)
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n/an/a 4n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422881
PNG
(CHEMBL213955)
Show SMILES Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O
Show InChI InChI=1S/C17H13ClO3/c1-11-7-13-5-6-15(9-16(13)21-17(11)19)20-10-12-3-2-4-14(18)8-12/h2-9H,10H2,1H3
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n/an/a 5.10n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C23H28FNO4/c1-3-4-5-6-7-13-25-23(28)29-19-10-8-9-18(14-19)20-12-11-17(15-21(20)24)16(2)22(26)27/h8-12,14-16H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422876
PNG
(CHEMBL212661)
Show SMILES Cc1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C17H14O3/c1-12-9-14-7-8-15(10-16(14)20-17(12)18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 6.60n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 8.60n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H28FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h5,8-11,14-17H,2-4,6-7,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 9n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Show InChI InChI=1S/C9H12N2O/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2,(H3,10,11)
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n/an/a 9.10n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 9.40n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 9.70n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 9.90n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 10n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone/11-deoxycorticosterone


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C23H28FNO4/c1-3-4-5-6-7-13-25-23(28)29-19-10-8-9-18(14-19)20-12-11-17(15-21(20)24)16(2)22(26)27/h8-12,14-16H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H26FNO4/c1-18(25(29)30)20-13-14-23(24(27)17-20)21-11-7-12-22(16-21)32-26(31)28-15-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-14,16-18H,5-6,10,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(CC(O)=O)cc1F
Show InChI InChI=1S/C10H14N2O2S/c1-15(13,14)7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
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n/an/a 16n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H28FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h5,8-11,14-17H,2-4,6-7,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
Show SMILES CCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C21H24FNO4/c1-3-4-5-11-23-21(26)27-17-8-6-7-16(12-17)18-10-9-15(13-19(18)22)14(2)20(24)25/h6-10,12-14H,3-5,11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C25H24FNO4/c1-17(24(28)29)19-12-13-22(23(26)16-19)20-10-5-11-21(15-20)31-25(30)27-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3,(H,27,30)(H,28,29)
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n/an/a 22n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H26FNO4/c1-18(25(29)30)20-13-14-23(24(27)17-20)21-11-7-12-22(16-21)32-26(31)28-15-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-14,16-18H,5-6,10,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 27n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422877
PNG
(CHEMBL213286)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCOc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-13-14(2)19(20)23-18-12-16(8-9-17(13)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422872
PNG
(CHEMBL213285)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50153442
PNG
(CHEMBL3774442 | US9630914, Example 18)
Show SMILES CCCCCCOC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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n/an/a 30n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and hu...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 31n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 31n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422878
PNG
(CHEMBL211425)
Show SMILES Cc1c(C)c(=O)oc2cc(SCc3ccccc3)ccc12
Show InChI InChI=1S/C18H16O2S/c1-12-13(2)18(19)20-17-10-15(8-9-16(12)17)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339655
PNG
(7-(3,4-Difluorophenoxy)-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
Show InChI InChI=1S/C19H12F2N2O3/c20-16-4-2-13(8-17(16)21)25-14-1-3-15-12(10-23-6-5-22-11-23)7-19(24)26-18(15)9-14/h1-9,11H,10H2
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n/an/a 47n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 51n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 51n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 52n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(CC(O)=O)cc1F
Show InChI InChI=1S/C10H14N2O2S/c1-15(13,14)7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
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n/an/a 63n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339659
PNG
(CHEMBL1688915 | rac-4-[1H-Imidazol-1-yl(phenyl)met...)
Show SMILES O=c1cc(C(c2ccccc2)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C25H18N2O3/c28-24-16-22(25(27-14-13-26-17-27)18-7-3-1-4-8-18)21-12-11-20(15-23(21)30-24)29-19-9-5-2-6-10-19/h1-17,25H
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n/an/a 67n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339654
PNG
(7-(3,5-Difluorophenoxy)-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1cc(F)cc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C19H12F2N2O3/c20-13-6-14(21)8-16(7-13)25-15-1-2-17-12(10-23-4-3-22-11-23)5-19(24)26-18(17)9-15/h1-9,11H,10H2
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n/an/a 70n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153371
PNG
(CHEMBL3775973 | US9630914, Example 7)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C24H22FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H,26,29)(H,27,28)
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n/an/a 70n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422872
PNG
(CHEMBL213285)
Show SMILES Cc1c(C)c(=O)oc2cc(OC[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(21)23-18-10-15(8-9-16(12)18)22-11-17(20)14-6-4-3-5-7-14/h3-10,17,20H,11H2,1-2H3/t17-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339647
PNG
(7-(3-Chlorophenoxy)-4-(1H-imidazol-1-ylmethyl)-2H-...)
Show SMILES Clc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C19H13ClN2O3/c20-14-2-1-3-15(9-14)24-16-4-5-17-13(11-22-7-6-21-12-22)8-19(23)25-18(17)10-16/h1-10,12H,11H2
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n/an/a 72n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339646
PNG
(7-(3-Fluorophenoxy)-4-(1H-imidazol-1-ylmethyl)-2H-...)
Show SMILES Fc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C19H13FN2O3/c20-14-2-1-3-15(9-14)24-16-4-5-17-13(11-22-7-6-21-12-22)8-19(23)25-18(17)10-16/h1-10,12H,11H2
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n/an/a 72n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM9485
PNG
(7-(benzyloxy)-4-(1H-imidazol-1-ylmethyl)-2H-chrome...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 72n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone/11-deoxycorticosterone


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9465
PNG
(1-(9-Phenyl-9H-fluoren-9-yl)-1H-imidazole | CHEMBL...)
Show SMILES c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H16N2/c1-2-8-17(9-3-1)22(24-15-14-23-16-24)20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-16H
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n/an/a 74n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339653
PNG
(7-[4-(Dimethylamino)phenoxy]-4-(1H-imidazol-1-ylme...)
Show SMILES CN(C)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H19N3O3/c1-23(2)16-3-5-17(6-4-16)26-18-7-8-19-15(13-24-10-9-22-14-24)11-21(25)27-20(19)12-18/h3-12,14H,13H2,1-2H3
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n/an/a 81n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C25H24FNO4/c1-17(24(28)29)19-12-13-22(23(26)16-19)20-10-5-11-21(15-20)31-25(30)27-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3,(H,27,30)(H,28,29)
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n/an/a 90n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay ...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
Show SMILES CCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C21H24FNO4/c1-3-4-5-11-23-21(26)27-17-8-6-7-16(12-17)18-10-9-15(13-19(18)22)14(2)20(24)25/h6-10,12-14H,3-5,11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 92n/an/an/an/an/an/a



Fondazione Istituto Italiano Di Tecnologia; The Regents of the University of California; Alma Mater Studiorum—Universita' Di Bologna

US Patent


Assay Description
Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen...


US Patent US9630914 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H0S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339656
PNG
(7-Anilino-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Nc3ccccc3)cc2o1
Show InChI InChI=1S/C19H15N3O2/c23-19-10-14(12-22-9-8-20-13-22)17-7-6-16(11-18(17)24-19)21-15-4-2-1-3-5-15/h1-11,13,21H,12H2
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n/an/a 105n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9483
PNG
(3-(1H-Imidazol-1-ylmethyl)-7-methoxy-4-phenyl-2H-c...)
Show SMILES COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1
Show InChI InChI=1S/C20H16N2O3/c1-24-15-7-8-16-18(11-15)25-20(23)17(12-22-10-9-21-13-22)19(16)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
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n/an/a 106n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
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