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PubMed code 8496907

Compile data set for download or QSAR
Found 8 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
Aromatase


(Homo sapiens (Human))
BDBM50047259
PNG
(4-(1-(1H-imidazol-1-yl)vinyl)benzonitrile | 4-(1-I...)
Show SMILES C=C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C12H9N3/c1-10(15-7-6-14-9-15)12-4-2-11(8-13)3-5-12/h2-7,9H,1H2
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n/an/a 0.700n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50047261
PNG
(5-(1H-imidazol-1-yl)-7,8-dihydronaphthalene-2-carb...)
Show SMILES N#Cc1ccc2C(=CCCc2c1)n1ccnc1 |c:6|
Show InChI InChI=1S/C14H11N3/c15-9-11-4-5-13-12(8-11)2-1-3-14(13)17-7-6-16-10-17/h3-8,10H,1-2H2
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n/an/a 2.90n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
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/t14-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50047260
PNG
(4,4'-((1H-imidazol-1-yl)methylene)dibenzonitrile |...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
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n/an/a 3.5n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50047264
PNG
(4-((4-bromophenylimino)(1H-imidazol-1-yl)methyl)be...)
Show SMILES Brc1ccc(cc1)\N=C(/c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C17H11BrN4/c18-15-5-7-16(8-6-15)21-17(22-10-9-20-12-22)14-3-1-13(11-19)2-4-14/h1-10,12H/b21-17+
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n/an/a 7.70n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50047263
PNG
(4-[5-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5...)
Show SMILES N#Cc1ccc(cc1)C1(CCCc2cncn12)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N4/c22-12-16-3-7-18(8-4-16)21(19-9-5-17(13-23)6-10-19)11-1-2-20-14-24-15-25(20)21/h3-10,14-15H,1-2,11H2
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n/an/a 233n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50047262
PNG
((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...)
Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12
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/t14-/m1/s1
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PubMed
n/an/a 680n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Aromatase


(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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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%