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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'le baut' and Initial = 'g'   
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))		BDBM50179635
PNG
((+)-5-[(4-chlorophenyl)(1H-imidazol-1-yl)methyl]-1...)
Show SMILES Clc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Show InChI InChI=1S/C18H14ClN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H
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n/an/a 9n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50179635
PNG
((+)-5-[(4-chlorophenyl)(1H-imidazol-1-yl)methyl]-1...)
Show SMILES Clc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Show InChI InChI=1S/C18H14ClN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H
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n/an/a 9n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50179635
PNG
((+)-5-[(4-chlorophenyl)(1H-imidazol-1-yl)methyl]-1...)
Show SMILES Clc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Show InChI InChI=1S/C18H14ClN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H
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n/an/a 15.3n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50179639
PNG
(4-((1H-imidazol-1-yl)(1H-indol-5-yl)methyl)benzoni...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Show InChI InChI=1S/C19H14N4/c20-12-14-1-3-15(4-2-14)19(23-10-9-21-13-23)17-5-6-18-16(11-17)7-8-22-18/h1-11,13,19,22H
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n/an/a 19.3n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50179637
PNG
(5-((4-chlorophenyl)(1H-imidazol-1-yl)methyl)-1-met...)
Show SMILES Cn1ccc2cc(ccc12)C(c1ccc(Cl)cc1)n1ccnc1
Show InChI InChI=1S/C19H16ClN3/c1-22-10-8-15-12-16(4-7-18(15)22)19(23-11-9-21-13-23)14-2-5-17(20)6-3-14/h2-13,19H,1H3
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n/an/a 23.7n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50179636
PNG
(5-((4-fluorophenyl)(1H-imidazol-1-yl)methyl)-1H-in...)
Show SMILES Fc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Show InChI InChI=1S/C18H14FN3/c19-16-4-1-13(2-5-16)18(22-10-9-20-12-22)15-3-6-17-14(11-15)7-8-21-17/h1-12,18,21H
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n/an/a 26.3n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50179638
PNG
(5-((3-chlorophenyl)(1H-imidazol-1-yl)methyl)-1H-in...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Show InChI InChI=1S/C18H14ClN3/c19-16-3-1-2-14(11-16)18(22-9-8-20-12-22)15-4-5-17-13(10-15)6-7-21-17/h1-12,18,21H
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n/an/a 29.7n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
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 40n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair
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



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
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))		BDBM50075001
PNG
(4-(3-Imidazol-1-ylmethyl-indol-1-ylmethyl)-benzoni...)
Show SMILES N#Cc1ccc(Cn2cc(Cn3ccnc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H16N4/c21-11-16-5-7-17(8-6-16)12-24-14-18(13-23-10-9-22-15-23)19-3-1-2-4-20(19)24/h1-10,14-15H,12-13H2
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n/an/a 50n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50075003
PNG
(5-Bromo-1-ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl...)
Show SMILES CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C20H17BrFN3/c1-2-24-12-18(17-11-15(21)5-8-19(17)24)20(25-10-9-23-13-25)14-3-6-16(22)7-4-14/h3-13,20H,2H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50075008
PNG
(1-(2-Chloro-benzyl)-3-imidazol-1-ylmethyl-1H-indol...)
Show SMILES Clc1ccccc1Cn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C19H16ClN3/c20-18-7-3-1-5-15(18)12-23-13-16(11-22-10-9-21-14-22)17-6-2-4-8-19(17)23/h1-10,13-14H,11-12H2
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n/an/a 54n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
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))		BDBM50075004
PNG
(1-Ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
Show InChI InChI=1S/C20H18FN3/c1-2-23-13-18(17-5-3-4-6-19(17)23)20(24-12-11-22-14-24)15-7-9-16(21)10-8-15/h3-14,20H,2H2,1H3
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n/an/a 57n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
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))		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))		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))		BDBM50075002
PNG
(5-Bromo-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES Cn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C19H15BrFN3/c1-23-11-17(16-10-14(20)4-7-18(16)23)19(24-9-8-22-12-24)13-2-5-15(21)6-3-13/h2-12,19H,1H3
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n/an/a 79n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
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))		BDBM50075005
PNG
(1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole ...)
Show SMILES CCn1ccc2cc(ccc12)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H19N3/c1-2-22-12-10-17-14-18(8-9-19(17)22)20(23-13-11-21-15-23)16-6-4-3-5-7-16/h3-15,20H,2H2,1H3
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n/an/a 205n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50075007
PNG
(5-Bromo-1-ethyl-2-[(4-fluoro-phenyl)-imidazol-1-yl...)
Show SMILES CCn1c(C(c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc12
Show InChI InChI=1S/C21H19BrFN3/c1-3-26-19-9-6-16(22)12-18(19)14(2)20(26)21(25-11-10-24-13-25)15-4-7-17(23)8-5-15/h4-13,21H,3H2,1-2H3
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n/an/a 238n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
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))		BDBM50075006
PNG
(3-(Imidazol-1-yl-phenyl-methyl)-1-(toluene-4-sulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
Show InChI InChI=1S/C25H21N3O2S/c1-19-11-13-21(14-12-19)31(29,30)28-17-23(22-9-5-6-10-24(22)28)25(27-16-15-26-18-27)20-7-3-2-4-8-20/h2-18,25H,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1

Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
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
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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Article
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n/an/a 2.98E+4n/an/an/an/an/an/a



Nantes University

Curated by ChEMBL


Assay Description
Inhibition of CYP19

Bioorg Med Chem Lett 16: 1134-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.099
BindingDB Entry DOI: 10.7270/Q2B27TV6
More data for this
Ligand-Target Pair