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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'numazawa' 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


(Homo sapiens (Human))		BDBM50041376
PNG
((R)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...)
Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23|
Show InChI InChI=1S/C21H30O2/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/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(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 |r,t:21|
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 -50.5 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


(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 |r,t:7|
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 -50.3 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


(Homo sapiens (Human))		BDBM50041369
PNG
((R)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
Show InChI InChI=1S/C22H32O2/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/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1
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 4.60n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(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 |r,c:19,t:23|
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 -49.4 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


(Homo sapiens (Human))		BDBM50041361
PNG
((S)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...)
Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23|
Show InChI InChI=1S/C21H30O2/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/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m0/s1
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 4.70n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(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 |r,c:22,t:26|
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 -49.3 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


(Homo sapiens (Human))		BDBM50041371
PNG
((S)-10,13-Dimethyl-6-vinyl-1,6,7,8,9,10,11,12,13,1...)
Show SMILES CC12CCC3C(C[C@@H](C=C)C4=CC(=O)CCC34C)C1CCC2=O |t:10|
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/h4,12-13,15-17H,1,5-11H2,2-3H3/t13-,15?,16?,17?,20?,21?/m1/s1
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 5.10n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(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 |r,t:21|
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 -49.1 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


(Homo sapiens (Human))		BDBM50041362
PNG
((S)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...)
Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22|
Show InChI InChI=1S/C20H28O2/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/h11-12,14-16H,4-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m0/s1
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 5.60n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(Homo sapiens (Human))		BDBM9997
PNG
((2S,15S)-2-(hydroxymethyl)-15-methyltetracyclo[8.7...)
Show SMILES C[C@]12CCC3C(CCC4=CCCC[C@]34CO)C1CCC2=O |r,t:8|
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 -48.9 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


(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 |r,t:9|
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 -48.8 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


(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 |r,t:9|
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 -48.8 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


(Homo sapiens (Human))		BDBM50041366
PNG
((S)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
Show InChI InChI=1S/C22H32O2/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/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m0/s1
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 6.70n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(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 |t:8|
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


(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 |r,t:8|
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 -48.5 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


(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 |r,c:20,t:24|
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 -48.4 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


(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 |r,c:24,t:28|
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 -48.1 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


(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 |r,c:23,t:27|
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 -48.1 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


(Homo sapiens (Human))		BDBM50041365
PNG
((R)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...)
Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25|
Show InChI InChI=1S/C23H34O2/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/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1
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 8.80n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(Homo sapiens (Human))		BDBM50041367
PNG
((R)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16|
Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/m0/s1
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 10n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(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 |r,c:22,t:26|
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 -47.3 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


(Homo sapiens (Human))		BDBM50041375
PNG
((R)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...)
Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22|
Show InChI InChI=1S/C20H28O2/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/h11-12,14-16H,4-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m1/s1
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 11n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(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 |r,t:22|
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 -47.0 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


(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 |r,t:22|
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


(Homo sapiens (Human))		BDBM50041372
PNG
((S)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...)
Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25|
Show InChI InChI=1S/C23H34O2/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/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1
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 12n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50332808
PNG
((8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:8|
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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 13n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1

J Med Chem 34: 2496-504 (1991)


BindingDB Entry DOI: 10.7270/Q2MG7Q45
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50332807
PNG
((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8|
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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 13n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot

J Med Chem 37: 2198-205 (1994)


BindingDB Entry DOI: 10.7270/Q22F7MG3
More data for this
Ligand-Target Pair
Aromatase


(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 |r,t:22|
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 -46.6 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


(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 |r,c:21,t:25|
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 -46.6 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


(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 |r,c:21,t:25|
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 -46.3 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


(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 |r,t:24|
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 -46.0 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


(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 |r,c:19,t:23|
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 -45.8 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


(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 |r,c:24,t:28|
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 -45.7 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


(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 |r,t:8|
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 -45.7 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 (crystal)
Aromatase


(Homo sapiens (Human))		BDBM50025428
PNG
(10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dode...)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O |t:8|
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
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 20n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot

J Med Chem 37: 2198-205 (1994)


BindingDB Entry DOI: 10.7270/Q22F7MG3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aromatase


(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 |r,t:9|
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 -45.6 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


(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 |r,t:9|
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 -45.6 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


(Homo sapiens (Human))		BDBM50041370
PNG
((R)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8|
Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,24?,25?/m1/s1
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 21n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(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 |r,c:20,t:24|
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 -45.5 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


(Homo sapiens (Human))		BDBM50041364
PNG
((S)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...)
Show SMILES CC(C)[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m0/s1
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 22n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(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 |r,t:24|
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


(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 |r,c:23,t:27|
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 -45.1 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


(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 |r,t:7|
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 -45.1 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


(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 |r,t:23|
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 -44.7 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


(Homo sapiens (Human))		BDBM50041363
PNG
((R)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...)
Show SMILES CC(C)[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m1/s1
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 31n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome aromatase Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aromatase


(Homo sapiens (Human))		BDBM50041373
PNG
((S)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8|
Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,24?,25?/m0/s1
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 37n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1

J Med Chem 37: 1312-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NZ86PN
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50332807
PNG
((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8|
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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 37n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione

J Med Chem 34: 2496-504 (1991)


BindingDB Entry DOI: 10.7270/Q2MG7Q45
More data for this
Ligand-Target Pair
Aromatase


(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 |r,t:22|
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 -43.7 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


(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 |r,c:18,t:22|
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 -43.7 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
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