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Compile Data Set for Download or QSAR

Found 350 hits of Enz. Inhib. data with enzyme = 'Aromatase (CYP19)' and Substrate = 'BDBM8592'   
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))
BDBM9955
PNG
((8S)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,19?,20?/m0/s1
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3.10 -12.1 37n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9989
PNG
((2S,6S,15S)-6-hydroxy-2-(hydroxymethyl)-15-methylt...)
Show SMILES C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O
Show InChI InChI=1S/C19H28O3/c1-18-10-8-14-12(13(18)6-7-17(18)22)4-5-15-16(21)3-2-9-19(14,15)11-20/h5,12-14,16,20-21H,2-4,6-11H2,1H3/t12?,13?,14?,16-,18-,19-/m0/s1
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3.40 -12.0 31n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9948
PNG
((8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1
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4.70 -11.8 54n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9951
PNG
((8R)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C24H34O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,15-16,18-20H,4-9,11,13-14H2,1-3H3/t16-,18?,19?,20?,23?,24?/m1/s1
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5 -11.8 54n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9960
PNG
((8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,19?,20?/m1/s1
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5.30 -11.7 49n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9997
PNG
((2S,15S)-2-(hydroxymethyl)-15-methyltetracyclo[8.7...)
Show SMILES C[C@]12CCC3C(CCC4=CCCC[C@]34CO)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-16,20H,2-3,5-12H2,1H3/t14?,15?,16?,18-,19+/m0/s1
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5.80 -11.7 49n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9994
PNG
((2R,8R,15S)-8-hydroxy-2,15-dimethyltetracyclo[8.7....)
Show SMILES C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18-,19+/m1/s1
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6 -11.7 50n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9968
PNG
((8R)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18?,19?/m1/s1
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6 -11.7 50n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9996
PNG
((2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{...)
Show SMILES C[C@]12CCC3C(CCC4=CCCC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
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6.80 -11.6 60n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9981
PNG
(2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]he...)
Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3
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6.80n/a 60n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9949
PNG
((8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C22H30O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h8,10,13-14,16-18H,4-7,9,11-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1
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7 -11.6 60n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9953
PNG
((8R)-8-heptyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C26H38O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,17-18,20-22H,4-11,13,15-16H2,1-3H3/t18-,20?,21?,22?,25?,26?/m1/s1
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7.80 -11.5 60n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9952
PNG
((8R)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19?,20?,21?,24?,25?/m1/s1
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8 -11.5 76n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9944
PNG
((8S)-2,15-dimethyl-8-pentyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C24H34O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,15-16,18-20H,4-9,11,13-14H2,1-3H3/t16-,18?,19?,20?,23?,24?/m0/s1
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11 -11.3 140n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9967
PNG
((8S)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m0/s1
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12 -11.2 120n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9970
PNG
((8R)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m1/s1
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12n/a 130n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9956
PNG
((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,20?,21?/m0/s1
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14 -11.1 110n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9950
PNG
((8R)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1
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14 -11.1 180n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9943
PNG
((8S)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1
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16 -11.1 200n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9966
PNG
((8S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}....)
Show SMILES CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14?,15?,16?,18-,20?,21?/m0/s1
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18 -11.0 160n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9941
PNG
((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,12-13,15-17H,4-6,8,10-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m0/s1
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19 -10.9 250n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9946
PNG
((8S)-8-heptyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C26H38O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,17-18,20-22H,4-11,13,15-16H2,1-3H3/t18-,20?,21?,22?,25?,26?/m0/s1
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20 -10.9 250n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8592
PNG
((2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{...)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
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20 -10.9 300n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9992
PNG
((2R,8S,15S)-8-hydroxy-2,15-dimethyltetracyclo[8.7....)
Show SMILES C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18+,19-/m0/s1
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21 -10.9 190n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9965
PNG
((8S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18?,19?/m0/s1
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21 -10.9 190n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9942
PNG
((8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C22H30O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h8,10,13-14,16-18H,4-7,9,11-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m0/s1
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22 -10.9 270n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9969
PNG
((8R)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}....)
Show SMILES CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-12-14-15-7-8-19(23)21(15,3)11-9-16(14)20(2)10-5-4-6-17(18)20/h6,14-16,18H,4-5,7-12H2,1-3H3/t14?,15?,16?,18-,20?,21?/m1/s1
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24n/a 260n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9945
PNG
((8S)-8-hexyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C25H36O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,16-17,19-21H,4-10,12,14-15H2,1-3H3/t17-,19?,20?,21?,24?,25?/m0/s1
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25 -10.8 280n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9987
PNG
((2R,6S,15S)-6-hydroxy-2,15-dimethyltetracyclo[8.7....)
Show SMILES C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h6,12-14,16,20H,3-5,7-11H2,1-2H3/t12?,13?,14?,16-,18+,19-/m0/s1
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25 -10.8 280n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9957
PNG
((8S)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C22H34O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-19H,4-7,9-14H2,1-3H3/t15-,16?,18?,19?,21?,22?/m0/s1
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30 -10.7 230n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9911
PNG
(3-Phenyl-7-(4-biphenylmethoxy)-2-[(4-pyridylmethyl...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12
Show InChI InChI=1S/C34H25NO3S/c36-33-30-16-15-29(37-22-24-11-13-27(14-12-24)26-7-3-1-4-8-26)21-31(30)38-34(32(33)28-9-5-2-6-10-28)39-23-25-17-19-35-20-18-25/h1-21H,22-23H2
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39 -10.5 79n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9961
PNG
((8R)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C21H32O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-18H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,20?,21?/m1/s1
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43 -10.4 320n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9947
PNG
((8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11-12,14-16H,4-5,7,9-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m1/s1
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43 -10.4 520n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9954
PNG
(1,4-Androsten-3,17-dione | 2,15-dimethyltetracyclo...)
Show SMILES CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3
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43 -10.4 530n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9982
PNG
((14S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,...)
Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O
Show InChI InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14?,15?,16?,17-,18?,19?/m0/s1
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45n/a 360n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9962
PNG
((8R)-2,15-dimethyl-8-propyltetracyclo[8.7.0.0^{2,7...)
Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C22H34O/c1-4-7-15-14-16-18-9-10-20(23)22(18,3)13-11-19(16)21(2)12-6-5-8-17(15)21/h8,15-16,18-19H,4-7,9-14H2,1-3H3/t15-,16?,18?,19?,21?,22?/m1/s1
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51 -10.3 440n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9940
PNG
((8S)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12
Show InChI InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11-12,14-16H,4-5,7,9-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m0/s1
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54 -10.3 620n/an/an/an/a7.537



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 1033-8 (1996)


Article DOI: 10.1021/jm950720u
BindingDB Entry DOI: 10.7270/Q21V5C6P
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9983
PNG
((2R,6R,15S)-6-hydroxy-2,15-dimethyltetracyclo[8.7....)
Show SMILES C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H28O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h6,12-14,16,20H,3-5,7-11H2,1-2H3/t12?,13?,14?,16-,18-,19+/m1/s1
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PubMed
58 -10.3 860n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9984
PNG
((2R,6R,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0...)
Show SMILES CC(=O)O[C@@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h7,14-16,18H,4-6,8-12H2,1-3H3/t14?,15?,16?,18-,20-,21+/m1/s1
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60 -10.2 700n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9903
PNG
(3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C32H23NO3S/c34-31-28-13-12-27(35-20-23-10-11-24-6-4-5-9-26(24)18-23)19-29(28)36-32(30(31)25-7-2-1-3-8-25)37-21-22-14-16-33-17-15-22/h1-19H,20-21H2
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PubMed
74 -10.1 90n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9988
PNG
((2R,6S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0...)
Show SMILES CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h7,14-16,18H,4-6,8-12H2,1-3H3/t14?,15?,16?,18-,20+,21-/m0/s1
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PubMed
90 -9.99 1.00E+3n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9995
PNG
((2S,8R,15S)-8-hydroxy-2-(hydroxymethyl)-15-methylt...)
Show SMILES C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O
Show InChI InChI=1S/C19H28O3/c1-18-9-7-14-12(13(18)5-6-17(18)22)10-16(21)15-4-2-3-8-19(14,15)11-20/h4,12-14,16,20-21H,2-3,5-11H2,1H3/t12?,13?,14?,16-,18+,19+/m1/s1
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PubMed
110 -9.87 940n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9902
PNG
(3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylme...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
Show InChI InChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2
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PubMed
114 -9.85 112n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9998
PNG
((2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{...)
Show SMILES C[C@]12CCC3C(CC=C4CCCC[C@]34C)C1CCC2=O
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h6,14-16H,3-5,7-12H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
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PubMed
120 -9.81 660n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9976
PNG
((8R)-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{1...)
Show SMILES C[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C20H32O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-18,21H,4-5,7-12H2,1-3H3/t13-,14?,16?,17?,18?,19?,20?/m1/s1
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PubMed
140n/a 1.60E+3n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9972
PNG
((8S)-8-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...)
Show SMILES CC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12
Show InChI InChI=1S/C21H34O/c1-4-14-13-15-17-8-9-19(22)21(17,3)12-10-18(15)20(2)11-6-5-7-16(14)20/h7,14-15,17-19,22H,4-6,8-13H2,1-3H3/t14-,15?,17?,18?,19?,20?,21?/m0/s1
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PubMed
180n/a 1.30E+3n/an/an/an/an/an/a



Tohoku College of Pharmacy



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9454
PNG
(7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulf...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C28H21NO3S/c30-27-24-12-11-23(31-18-20-7-3-1-4-8-20)17-25(24)32-28(26(27)22-9-5-2-6-10-22)33-19-21-13-15-29-16-14-21/h1-17H,18-19H2
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Article
PubMed
220 -9.44 210n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9893
PNG
(2-(1H-Imidazol-1-yl)-3-phenyl-7-(benzyloxy)-4H-1-b...)
Show SMILES O=c1c(-c2ccccc2)c(oc2cc(OCc3ccccc3)ccc12)-n1ccnc1
Show InChI InChI=1S/C25H18N2O3/c28-24-21-12-11-20(29-16-18-7-3-1-4-8-18)15-22(21)30-25(27-14-13-26-17-27)23(24)19-9-5-2-6-10-19/h1-15,17H,16H2
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250 -9.36 520n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 4063-70 (2005)


Article DOI: 10.1016/j.bmc.2005.03.050
BindingDB Entry DOI: 10.7270/Q2TB154R
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9993
PNG
((2S,8S,15S)-8-hydroxy-2-(hydroxymethyl)-15-methylt...)
Show SMILES C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34CO)C1CCC2=O
Show InChI InChI=1S/C19H28O3/c1-18-9-7-14-12(13(18)5-6-17(18)22)10-16(21)15-4-2-3-8-19(14,15)11-20/h4,12-14,16,20-21H,2-3,5-11H2,1H3/t12?,13?,14?,16-,18-,19-/m0/s1
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PubMed
250 -9.36 1.40E+3n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9459
PNG
(7-Hydroxy-3-(4-methoxyphenyl)-2-[(4-pyridylmethyl)...)
Show SMILES COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
Show InChI InChI=1S/C22H17NO4S/c1-26-17-5-2-15(3-6-17)20-21(25)18-7-4-16(24)12-19(18)27-22(20)28-13-14-8-10-23-11-9-14/h2-12,24H,13H2,1H3
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PubMed
260 -9.34 220n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


J Med Chem 47: 4032-40 (2004)


Article DOI: 10.1021/jm0306024
BindingDB Entry DOI: 10.7270/Q2RJ4GP7
More data for this
Ligand-Target Pair
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