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PubMed code 3625703

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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 19A1


(Homo sapiens (Human))
BDBM50024544
PNG
(3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)
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PubMed
90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50015983
PNG
((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...)
Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with testosterone


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50024544
PNG
(3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50015983
PNG
((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...)
Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
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480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50015985
PNG
(3-Ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50015985
PNG
(3-Ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
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1.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024544
PNG
(3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50024544
PNG
(3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with testosterone


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50015983
PNG
((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...)
Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with testosterone


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024550
PNG
(3-Ethyl-1-heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C19H28N2O2/c1-3-5-6-7-8-15-21-17(22)9-12-19(4-2,18(21)23)16-10-13-20-14-11-16/h10-11,13-14H,3-9,12,15H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024555
PNG
(3-Nonyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-8-12-19(16-10-14-20-15-11-16)13-9-17(22)21-18(19)23/h10-11,14-15H,2-9,12-13H2,1H3,(H,21,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024557
PNG
(3-Pentyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dion...)
Show SMILES CCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C15H20N2O2/c1-2-3-4-8-15(12-6-10-16-11-7-12)9-5-13(18)17-14(15)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024553
PNG
(3-Ethyl-1-nonyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C21H32N2O2/c1-3-5-6-7-8-9-10-17-23-19(24)11-14-21(4-2,20(23)25)18-12-15-22-16-13-18/h12-13,15-16H,3-11,14,17H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024547
PNG
(3-Heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dion...)
Show SMILES CCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C17H24N2O2/c1-2-3-4-5-6-10-17(14-8-12-18-13-9-14)11-7-15(20)19-16(17)21/h8-9,12-13H,2-7,10-11H2,1H3,(H,19,20,21)
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024546
PNG
(3-Hexyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C16H22N2O2/c1-2-3-4-5-9-16(13-7-11-17-12-8-13)10-6-14(19)18-15(16)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,20)
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024548
PNG
(3-Butyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C14H18N2O2/c1-2-3-7-14(11-5-9-15-10-6-11)8-4-12(17)16-13(14)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50015983
PNG
((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...)
Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024556
PNG
(3-Propyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dion...)
Show SMILES CCCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C13H16N2O2/c1-2-6-13(10-4-8-14-9-5-10)7-3-11(16)15-12(13)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16,17)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024559
PNG
(3-Ethyl-1-hexyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C18H26N2O2/c1-3-5-6-7-14-20-16(21)8-11-18(4-2,17(20)22)15-9-12-19-13-10-15/h9-10,12-13H,3-8,11,14H2,1-2H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024549
PNG
(1-Decyl-3-ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C22H34N2O2/c1-3-5-6-7-8-9-10-11-18-24-20(25)12-15-22(4-2,21(24)26)19-13-16-23-17-14-19/h13-14,16-17H,3-12,15,18H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50015985
PNG
(3-Ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with androstenedione


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024543
PNG
(3-Ethyl-1-pentyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C17H24N2O2/c1-3-5-6-13-19-15(20)7-10-17(4-2,16(19)21)14-8-11-18-12-9-14/h8-9,11-12H,3-7,10,13H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024558
PNG
(3-Ethyl-1-methyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCC1(CCC(=O)N(C)C1=O)c1ccncc1
Show InChI InChI=1S/C13H16N2O2/c1-3-13(10-5-8-14-9-6-10)7-4-11(16)15(2)12(13)17/h5-6,8-9H,3-4,7H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024545
PNG
(3-Ethyl-1-propyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C15H20N2O2/c1-3-11-17-13(18)5-8-15(4-2,14(17)19)12-6-9-16-10-7-12/h6-7,9-10H,3-5,8,11H2,1-2H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024554
PNG
(1-Butyl-3-ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C16H22N2O2/c1-3-5-12-18-14(19)6-9-16(4-2,15(18)20)13-7-10-17-11-8-13/h7-8,10-11H,3-6,9,12H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50015985
PNG
(3-Ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human placental cytochrome P450 19A1 with testosterone


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50015983
PNG
((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...)
Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50024553
PNG
(3-Ethyl-1-nonyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C21H32N2O2/c1-3-5-6-7-8-9-10-17-23-19(24)11-14-21(4-2,20(23)25)18-12-15-22-16-13-18/h12-13,15-16H,3-11,14,17H2,1-2H3
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n/an/a 1.75E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50024543
PNG
(3-Ethyl-1-pentyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C17H24N2O2/c1-3-5-6-13-19-15(20)7-10-17(4-2,16(19)21)14-8-11-18-12-9-14/h8-9,11-12H,3-7,10,13H2,1-2H3
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n/an/a 2.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50024550
PNG
(3-Ethyl-1-heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C19H28N2O2/c1-3-5-6-7-8-15-21-17(22)9-12-19(4-2,18(21)23)16-10-13-20-14-11-16/h10-11,13-14H,3-9,12,15H2,1-2H3
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n/an/a 2.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024551
PNG
(3-Methyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dion...)
Show SMILES CC1(CCC(=O)NC1=O)c1ccncc1
Show InChI InChI=1S/C11H12N2O2/c1-11(8-3-6-12-7-4-8)5-2-9(14)13-10(11)15/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
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n/an/a 2.45E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50024549
PNG
(1-Decyl-3-ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C22H34N2O2/c1-3-5-6-7-8-9-10-11-18-24-20(25)12-15-22(4-2,21(24)26)19-13-16-23-17-14-19/h13-14,16-17H,3-12,15,18H2,1-2H3
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n/an/a 3.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50024552
PNG
(1,3-Diethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-d...)
Show SMILES CCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C14H18N2O2/c1-3-14(11-6-9-15-10-7-11)8-5-12(17)16(4-2)13(14)18/h6-7,9-10H,3-5,8H2,1-2H3
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n/an/a 3.85E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human placental cytochrome P450 19A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%