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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'ahmadi' and Initial = 'm'   
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 (CYP19)


(Homo sapiens (human))
BDBM50079818
PNG
(1-[(2,3-Dihydro-benzofuran-2-yl)-(4-fluoro-phenyl)...)
Show SMILES Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Show InChI InChI=1S/C17H14FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-8,10-11,16-17H,9H2
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n/an/a 190n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079814
PNG
(1-[(4-Chloro-phenyl)-(2,3-dihydro-benzofuran-2-yl)...)
Show SMILES Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Show InChI InChI=1S/C17H14ClN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-8,10-11,16-17H,9H2
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n/an/a 200n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079820
PNG
(1-[(2,3-Dihydro-benzofuran-2-yl)-p-tolyl-methyl]-1...)
Show SMILES Cc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Show InChI InChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)18(21-12-19-11-20-21)17-10-15-4-2-3-5-16(15)22-17/h2-9,11-12,17-18H,10H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079816
PNG
(1-[(2,4-Dichloro-phenyl)-(2,3-dihydro-benzofuran-2...)
Show SMILES Clc1ccc(C(C2Cc3ccccc3O2)n2cncn2)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O/c18-12-5-6-13(14(19)8-12)17(22-10-20-9-21-22)16-7-11-3-1-2-4-15(11)23-16/h1-6,8-10,16-17H,7H2
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n/an/a 880n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079817
PNG
(1-[(2,3-Dihydro-benzofuran-2-yl)-(4-fluoro-phenyl)...)
Show SMILES Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1
Show InChI InChI=1S/C16H13FN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-8,10,15-16H,9H2
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n/an/a 2.17E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079815
PNG
(1-[(4-Chloro-phenyl)-(2,3-dihydro-benzofuran-2-yl)...)
Show SMILES Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1
Show InChI InChI=1S/C16H13ClN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-8,10,15-16H,9H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
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 1.85E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079819
PNG
(1-[(2,4-Dichloro-phenyl)-(2,3-dihydro-benzofuran-2...)
Show SMILES Clc1ccc(C(C2Cc3ccccc3O2)n2cnnn2)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N4O/c17-11-5-6-12(13(18)8-11)16(22-9-19-20-21-22)15-7-10-3-1-2-4-14(10)23-15/h1-6,8-9,15-16H,7H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair