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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'lézé' and Initial = 'mp'   
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))
BDBM10015
PNG
(2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...)
Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 11.5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50262164
PNG
(CHEMBL469260 | rac-4-[(1H-imidazol-1-yl)(1H-indol-...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1ccnc1
Show InChI InChI=1S/C19H14N4/c20-12-14-1-3-16(4-2-14)19(23-10-9-21-13-23)17-6-5-15-7-8-22-18(15)11-17/h1-11,13,19,22H
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n/an/a 11.5n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
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))
BDBM50262166
PNG
(4-[(1H-imidazol-1-yl)(1H-indol-4-yl)methyl]benzoni...)
Show SMILES N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1ccnc1
Show InChI InChI=1S/C19H14N4/c20-12-14-4-6-15(7-5-14)19(23-11-10-21-13-23)17-2-1-3-18-16(17)8-9-22-18/h1-11,13,19,22H
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n/an/a 18.7n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
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))
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



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
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))
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 30n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
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))
BDBM50262165
PNG
(4-[(1H-indol-6-yl)(1H-1,2,4-triazol-1-yl)methyl]be...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1cncn1
Show InChI InChI=1S/C18H13N5/c19-10-13-1-3-15(4-2-13)18(23-12-20-11-22-23)16-6-5-14-7-8-21-17(14)9-16/h1-9,11-12,18,21H
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n/an/a 93.8n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50262221
PNG
(4-((1H-indol-4-yl)(1H-1,2,4-triazol-1-yl)methyl)be...)
Show SMILES N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1cncn1
Show InChI InChI=1S/C18H13N5/c19-10-13-4-6-14(7-5-13)18(23-12-20-11-22-23)16-2-1-3-17-15(16)8-9-21-17/h1-9,11-12,18,21H
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n/an/a 1.62E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
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 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
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 2.98E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes


Bioorg Med Chem Lett 18: 4713-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.094
BindingDB Entry DOI: 10.7270/Q2HD7VF7
More data for this
Ligand-Target Pair