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Compile Data Set for Download or QSAR

Found 8 hits of Enz. Inhib. data with enzyme = 'Aromatase (CYP19)' and Substrate = 'biotinylated synthetic peptide'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8826
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8862
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-3-fluoro...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C20H16FN5OS/c1-11-3-2-4-12(7-11)25-20(27)26-13-5-6-14(16(21)8-13)15-9-28-19-17(15)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8868
PNG
(3-{16-amino-11-thia-13,15-diazatetracyclo[8.7.0.0^...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3-c4c(CCc3c2)sc2ncnc(N)c42)c1
Show InChI InChI=1S/C22H19N5OS/c1-12-3-2-4-14(9-12)26-22(28)27-15-6-7-16-13(10-15)5-8-17-18(16)19-20(23)24-11-25-21(19)29-17/h2-4,6-7,9-11H,5,8H2,1H3,(H2,23,24,25)(H2,26,27,28)
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n/an/a 36n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8863
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-3-chloro...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(Cl)c2)c1
Show InChI InChI=1S/C20H16ClN5OS/c1-11-3-2-4-12(7-11)25-20(27)26-13-5-6-14(16(21)8-13)15-9-28-19-17(15)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 59n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8865
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-2-fluoro...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2F)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16FN5OS/c1-11-3-2-4-13(7-11)25-20(27)26-16-6-5-12(8-15(16)21)14-9-28-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 67n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8867
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-2-methox...)
Show SMILES COc1cc(ccc1NC(=O)Nc1cccc(C)c1)-c1csc2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O2S/c1-12-4-3-5-14(8-12)25-21(27)26-16-7-6-13(9-17(16)28-2)15-10-29-20-18(15)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8864
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-3-methox...)
Show SMILES COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1csc2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O2S/c1-12-4-3-5-13(8-12)25-21(27)26-14-6-7-15(17(9-14)28-2)16-10-29-20-18(16)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8866
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-2-chloro...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2Cl)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16ClN5OS/c1-11-3-2-4-13(7-11)25-20(27)26-16-6-5-12(8-15(16)21)14-9-28-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 700n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair