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PubMed code 12699753

Compile data set for download or QSAR
Found 12 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))		BDBM50075009
PNG
(1-Ethyl-5-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCn1ccc2cc(ccc12)C(c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C20H18FN3/c1-2-23-11-9-16-13-17(5-8-19(16)23)20(24-12-10-22-14-24)15-3-6-18(21)7-4-15/h3-14,20H,2H2,1H3
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n/an/a 41n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127282
PNG
(7-[(4-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl...)
Show SMILES CCn1ccc2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H18ClN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-14,20H,2H2,1H3
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n/an/a 55n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127286
PNG
(1-Ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCn1ccc2cccc(C(c3ccc(F)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H18FN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-14,20H,2H2,1H3
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n/an/a 62n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127279
PNG
(1-Ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCN1CCc2cccc(C(c3ccc(F)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H20FN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-9,11,13-14,20H,2,10,12H2,1H3
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n/an/a 62n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
In vitro inhibitiion of cytochrome P450 19A1 from human placental microsomes with 2.5 uM [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127285
PNG
(5-Chloro-1-ethyl-7-[(4-fluoro-phenyl)-imidazol-1-y...)
Show SMILES CCN1CCc2cc(Cl)cc(C(c3ccc(F)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H19ClFN3/c1-2-24-9-7-15-11-16(21)12-18(20(15)24)19(25-10-8-23-13-25)14-3-5-17(22)6-4-14/h3-6,8,10-13,19H,2,7,9H2,1H3
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n/an/a 63n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127281
PNG
(7-[(4-Bromo-phenyl)-imidazol-1-yl-methyl]-1-ethyl-...)
Show SMILES CCn1ccc2cccc(C(c3ccc(Br)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H18BrN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-14,20H,2H2,1H3
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n/an/a 70n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127280
PNG
(5-Bromo-1-ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl...)
Show SMILES CCN1CCc2cc(Br)cc(C(c3ccc(F)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H19BrFN3/c1-2-24-9-7-15-11-16(21)12-18(20(15)24)19(25-10-8-23-13-25)14-3-5-17(22)6-4-14/h3-6,8,10-13,19H,2,7,9H2,1H3
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n/an/a 90n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127283
PNG
(7-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl...)
Show SMILES CCN1CCc2cccc(C(c3cccc(Cl)c3)n3ccnc3)c12
Show InChI InChI=1S/C20H20ClN3/c1-2-23-11-9-15-5-4-8-18(19(15)23)20(24-12-10-22-14-24)16-6-3-7-17(21)13-16/h3-8,10,12-14,20H,2,9,11H2,1H3
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n/an/a 110n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127284
PNG
(7-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1-ethyl...)
Show SMILES CCn1ccc2cccc(C(c3cccc(Cl)c3)n3ccnc3)c12
Show InChI InChI=1S/C20H18ClN3/c1-2-23-11-9-15-5-4-8-18(19(15)23)20(24-12-10-22-14-24)16-6-3-7-17(21)13-16/h3-14,20H,2H2,1H3
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n/an/a 170n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127287
PNG
(5-Bromo-1-ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl...)
Show SMILES CCn1ccc2cc(Br)cc(C(c3ccc(F)cc3)n3ccnc3)c12
Show InChI InChI=1S/C20H17BrFN3/c1-2-24-9-7-15-11-16(21)12-18(20(15)24)19(25-10-8-23-13-25)14-3-5-17(22)6-4-14/h3-13,19H,2H2,1H3
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n/an/a 200n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50127278
PNG
(1-Ethyl-7-[(4-fluoro-phenyl)-[1,2,4]triazol-1-yl-m...)
Show SMILES CCN1CCc2cccc(C(c3ccc(F)cc3)n3cncn3)c12
Show InChI InChI=1S/C19H19FN4/c1-2-23-11-10-14-4-3-5-17(18(14)23)19(24-13-21-12-22-24)15-6-8-16(20)9-7-15/h3-9,12-13,19H,2,10-11H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
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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n/an/a 1.85E+4n/an/an/an/an/an/a



UFR des Sciences Pharmaceutiques

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 of human placental microsomes with [1beta,2beta-3H]testosterone

Bioorg Med Chem Lett 13: 1553-5 (2003)


BindingDB Entry DOI: 10.7270/Q2GH9HB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%