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Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'favia' and Initial = 'ad'   
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
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)
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
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
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)
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
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/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
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
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
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))
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
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
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))
BDBM50339650
PNG
(7-(4-Chlorophenoxy)-4-(1H-imidazol-1-ylmethyl)-2H-...)
Show SMILES Clc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C19H13ClN2O3/c20-14-1-3-15(4-2-14)24-16-5-6-17-13(11-22-8-7-21-12-22)9-19(23)25-18(17)10-16/h1-10,12H,11H2
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n/an/a 112n/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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422884
PNG
(CHEMBL377318)
Show SMILES Cc1c(C)c(=O)oc2cc(OC\C=C\c3ccccc3)ccc12
Show InChI InChI=1S/C20H18O3/c1-14-15(2)20(21)23-19-13-17(10-11-18(14)19)22-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12H2,1-2H3/b9-6+
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n/an/a 112n/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))
BDBM50339665
PNG
(7-[(3-Fluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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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))
BDBM50339664
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-methylbenzyl)oxy]...)
Show SMILES Cc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O3/c1-15-3-2-4-16(9-15)13-25-18-5-6-19-17(12-23-8-7-22-14-23)10-21(24)26-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 114n/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))
BDBM50339642
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-methoxybenzyl)oxy...)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 127n/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))
BDBM50339666
PNG
(7-[(3-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 130n/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))
BDBM50339669
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-nitrobenzyl)oxy]-...)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-7-6-21-13-22)18-5-4-17(10-19(18)28-20)27-12-14-2-1-3-16(8-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 141n/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))
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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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))
BDBM50339651
PNG
(4-{[4-(1H-Imidazol-1-ylmethyl)-2-oxo-2H-chromen-7-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(cc3)C#N)cc2o1
Show InChI InChI=1S/C20H13N3O3/c21-11-14-1-3-16(4-2-14)25-17-5-6-18-15(12-23-8-7-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,12H2
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n/an/a 164n/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))
BDBM50339645
PNG
(7-[(3,4-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
Show InChI InChI=1S/C20H14F2N2O3/c21-17-4-1-13(7-18(17)22)11-26-15-2-3-16-14(10-24-6-5-23-12-24)8-20(25)27-19(16)9-15/h1-9,12H,10-11H2
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n/an/a 165n/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))
BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
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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))
BDBM50339641
PNG
(7-[(4-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-14(2-4-16)12-25-17-5-6-18-15(11-23-8-7-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 178n/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))
BDBM50339668
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
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n/an/a 207n/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))
BDBM50339667
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-3-1-2-14(8-16)12-28-17-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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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))
BDBM50339640
PNG
(7-[(4-Fluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15FN2O3/c21-16-3-1-14(2-4-16)12-25-17-5-6-18-15(11-23-8-7-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 267n/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))
BDBM9471
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-methoxy-2H-chromen-2-...)
Show SMILES COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
Show InChI InChI=1S/C14H12N2O3/c1-18-11-2-3-12-10(8-16-5-4-15-9-16)6-14(17)19-13(12)7-11/h2-7,9H,8H2,1H3
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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 11B2, 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 289n/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
Aromatase


(Homo sapiens (Human))
BDBM50339648
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-(3-methoxyphenoxy)-2H...)
Show SMILES COc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H16N2O4/c1-24-15-3-2-4-16(10-15)25-17-5-6-18-14(12-22-8-7-21-13-22)9-20(23)26-19(18)11-17/h2-11,13H,12H2,1H3
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n/an/a 292n/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))
BDBM50339652
PNG
(7-(4-Acetylphenoxy)-4-(1H-imidazol-1-ylmethyl)-2H-...)
Show SMILES CC(=O)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H16N2O4/c1-14(24)15-2-4-17(5-3-15)26-18-6-7-19-16(12-23-9-8-22-13-23)10-21(25)27-20(19)11-18/h2-11,13H,12H2,1H3
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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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422874
PNG
(CHEMBL380375)
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-/m0/s1
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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))
BDBM50339663
PNG
(CHEMBL1688919 | rac-3-[1H-Imidazol-1-yl(phenyl)met...)
Show SMILES O=c1oc2cc(Oc3ccccc3)ccc2cc1C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C25H18N2O3/c28-25-22(24(27-14-13-26-17-27)18-7-3-1-4-8-18)15-19-11-12-21(16-23(19)30-25)29-20-9-5-2-6-10-20/h1-17,24H
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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))
BDBM50339660
PNG
(CHEMBL1688916 | rac-7-(3,4-Difluorophenoxy)-4-[1H-...)
Show SMILES Fc1ccc(Oc2ccc3c(cc(=O)oc3c2)C(c2ccccc2)n2ccnc2)cc1F
Show InChI InChI=1S/C25H16F2N2O3/c26-21-9-7-17(12-22(21)27)31-18-6-8-19-20(14-24(30)32-23(19)13-18)25(29-11-10-28-15-29)16-4-2-1-3-5-16/h1-15,25H
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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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
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n/an/a 447n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA 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))
BDBM50339658
PNG
(CHEMBL1688914 | rac-4-[1H-Imidazol-1-yl(phenyl)met...)
Show SMILES COc1ccc2c(cc(=O)oc2c1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H16N2O3/c1-24-15-7-8-16-17(12-19(23)25-18(16)11-15)20(22-10-9-21-13-22)14-5-3-2-4-6-14/h2-13,20H,1H3
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n/an/a 455n/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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422883
PNG
(CHEMBL213724)
Show SMILES Cc1c(C)c(=O)oc2cc(CCc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O2/c1-13-14(2)19(20)21-18-12-16(10-11-17(13)18)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
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n/an/a 457n/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))
BDBM50339643
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-trifluoromethoxyb...)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-16-3-1-14(2-4-16)12-28-17-5-6-18-15(11-26-8-7-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 481n/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))
BDBM50307794
PNG
(2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C
Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat cerebellum membranes pre-incubated for 10 mins before addition of [3H]AEA substrate in presence of ethyl alc...


J Med Chem 55: 8807-26 (2012)


Article DOI: 10.1021/jm3011146
BindingDB Entry DOI: 10.7270/Q2G161ZJ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50339661
PNG
(CHEMBL1688917 | rac-4-[(4-Chlorophenyl)(1H-imidazo...)
Show SMILES Clc1ccc(cc1)C(c1cc(=O)oc2cc(Oc3ccccc3)ccc12)n1ccnc1
Show InChI InChI=1S/C25H17ClN2O3/c26-18-8-6-17(7-9-18)25(28-13-12-27-16-28)22-15-24(29)31-23-14-20(10-11-21(22)23)30-19-4-2-1-3-5-19/h1-16,25H
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n/an/a 532n/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))
BDBM50339649
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-(4-methylphenoxy)-2H-...)
Show SMILES Cc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H16N2O3/c1-14-2-4-16(5-3-14)24-17-6-7-18-15(12-22-9-8-21-13-22)10-20(23)25-19(18)11-17/h2-11,13H,12H2,1H3
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n/an/a 690n/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
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50422882
PNG
(CHEMBL211476)
Show SMILES Cc1c(C)c(=O)oc2cc(OCS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C18H16O5S/c1-12-13(2)18(19)23-17-10-14(8-9-16(12)17)22-11-24(20,21)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
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n/an/a 871n/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
Cytochrome P450 11B1, mitochondrial


(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 933n/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
Cytochrome P450 11B2, mitochondrial


(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 2.19E+3n/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
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