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Compile Data Set for Download or QSAR

Found 60 hits of Enz. Inhib. data with enzyme = 'Aromatase (CYP19)' and Substrate = 'BDBM8885'   
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))
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 5n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)
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n/an/a 15n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/a 20n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/a 27n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/a 39n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 51n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9465
PNG
(1-(9-Phenyl-9H-fluoren-9-yl)-1H-imidazole | CHEMBL...)
Show SMILES c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H16N2/c1-2-8-17(9-3-1)22(24-15-14-23-16-24)20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-16H
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n/an/a 74n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8883
PNG
(5-[(E)-(5-Bromo-2,3-dihydro-1H-inden-1-ylidene)met...)
Show SMILES Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11BrN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/a 100n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9483
PNG
(3-(1H-Imidazol-1-ylmethyl)-7-methoxy-4-phenyl-2H-c...)
Show SMILES COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1
Show InChI InChI=1S/C20H16N2O3/c1-24-15-7-8-16-18(11-15)25-20(23)17(12-22-10-9-21-13-22)19(16)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
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n/an/a 106n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8876
PNG
((1E)-1-(1H-Imidazol-5-ylmethylene)indane-5-carboni...)
Show SMILES N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)
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n/an/a 119n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8878
PNG
(5-[(E)-(7-Chloro-3,4-dihydronaphthalen-1(2H)-ylide...)
Show SMILES Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)
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n/an/a 120n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8875
PNG
((5Z)-5-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)
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n/an/a 125n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)
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n/an/a 130n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9477
PNG
(6-(1H-Imidazol-1-ylmethyl)-2H-chromen-2-one | CHEM...)
Show SMILES O=c1ccc2cc(Cn3ccnc3)ccc2o1
Show InChI InChI=1S/C13H10N2O2/c16-13-4-2-11-7-10(1-3-12(11)17-13)8-15-6-5-14-9-15/h1-7,9H,8H2
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n/an/a 144n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9485
PNG
(7-(benzyloxy)-4-(1H-imidazol-1-ylmethyl)-2H-chrome...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 150n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10024
PNG
(5-(1H-imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquino...)
Show SMILES C(C1CCCc2ncccc12)n1ccnc1
Show InChI InChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2
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n/an/a 160n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9476
PNG
(5-(1H-Imidazol-1-ylmethyl)-7-methoxy-2H-chromen-2-...)
Show SMILES COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
Show InChI InChI=1S/C14H12N2O3/c1-18-11-6-10(8-16-5-4-15-9-16)12-2-3-14(17)19-13(12)7-11/h2-7,9H,8H2,1H3
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n/an/a 168n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10025
PNG
(5-(1H-imidazol-1-ylmethyl)-7,8-dihydroquinoline | ...)
Show SMILES C(C1=CCCc2ncccc12)n1ccnc1
Show InChI InChI=1S/C13H13N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2-4,6-8,10H,1,5,9H2
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n/an/a 170n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)
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n/an/a 190n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8879
PNG
(5-[(E)-(5-Fluoro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11FN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/a 218n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10031
PNG
(5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinolin...)
Show SMILES C(CC1=CCCc2ncccc12)Cn1ccnc1
Show InChI InChI=1S/C15H17N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,4,6,8-9,11-12H,1,3,5,7,10H2
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n/an/a 220n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8871
PNG
(5-[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidenemeth...)
Show SMILES C1CC(=Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C14H14N2/c1-2-7-14-11(4-1)5-3-6-12(14)8-13-9-15-10-16-13/h1-2,4,7-10H,3,5-6H2,(H,15,16)
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n/an/a 226n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9471
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-methoxy-2H-chromen-2-...)
Show SMILES COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
Show InChI InChI=1S/C14H12N2O3/c1-18-11-2-3-12-10(8-16-5-4-15-9-16)6-14(17)19-13(12)7-11/h2-7,9H,8H2,1H3
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n/an/a 280n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8881
PNG
(5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)me...)
Show SMILES Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1
Show InChI InChI=1S/C13H11ClN2/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12/h3-8H,1-2H2,(H,15,16)
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n/an/a 330n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10028
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]quinoline | 5-[2-(Imi...)
Show SMILES C(Cn1ccnc1)c1cccc2ncccc12
Show InChI InChI=1S/C14H13N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h1-5,7-8,10-11H,6,9H2
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n/an/a 350n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10030
PNG
(5-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydroq...)
Show SMILES C(CC1CCCc2ncccc12)Cn1ccnc1
Show InChI InChI=1S/C15H19N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,6,8-9,11-13H,1,3-5,7,10H2
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n/an/a 350n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10026
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-5,6,7,8-tetrahydroqu...)
Show SMILES C(Cn1ccnc1)C1CCCc2ncccc12
Show InChI InChI=1S/C14H17N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2,4,7-8,10-12H,1,3,5-6,9H2
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n/an/a 380n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10033
PNG
(1-[2-(4,5,6,7-Tetrahydrobenzo[b]thiophen-4-yl)ethy...)
Show SMILES C(Cn1ccnc1)C1CCCc2sccc12
Show InChI InChI=1S/C13H16N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h5-6,8-11H,1-4,7H2
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n/an/a 440n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10027
PNG
(5-[2-(1H-imidazol-1-yl)ethyl]-7,8-dihydroquinoline...)
Show SMILES C(Cn1ccnc1)C1=CCCc2ncccc12
Show InChI InChI=1S/C14H15N3/c1-3-12(6-9-17-10-8-15-11-17)13-4-2-7-16-14(13)5-1/h2-4,7-8,10-11H,1,5-6,9H2
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n/an/a 500n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9478
PNG
(7-(1H-Imidazol-1-ylmethyl)-2H-chromen-2-one | CHEM...)
Show SMILES O=c1ccc2ccc(Cn3ccnc3)cc2o1
Show InChI InChI=1S/C13H10N2O2/c16-13-4-3-11-2-1-10(7-12(11)17-13)8-15-6-5-14-9-15/h1-7,9H,8H2
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n/an/a 680n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10036
PNG
(1-[(2E)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...)
Show SMILES C(\C=C1/CCCc2sccc12)n1ccnc1
Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+
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n/an/a 680n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10029
PNG
(1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-...)
Show SMILES C(Cn1ccnc1)C1CCCc2ccccc12
Show InChI InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)8-10-17-11-9-16-12-17/h1-2,4,7,9,11-12,14H,3,5-6,8,10H2
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n/an/a 700n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9473
PNG
(4-[2-(1H-Imidazol-1-yl)ethoxy]-2H-chromen-2-one | ...)
Show SMILES O=c1cc(OCCn2ccnc2)c2ccccc2o1
Show InChI InChI=1S/C14H12N2O3/c17-14-9-13(11-3-1-2-4-12(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2
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n/an/a 760n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)
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n/an/a 810n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10032
PNG
(1-[2-(4,5,6,7-Tetrahydrobenzo[b]furan-4-yl)ethyl]-...)
Show SMILES C(Cn1ccnc1)C1CCCc2occc12
Show InChI InChI=1S/C13H16N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h5-6,8-11H,1-4,7H2
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n/an/a 920n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8873
PNG
(5-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]-1H-i...)
Show SMILES C1Cc2ccccc2C1=Cc1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-4,7-9H,5-6H2,(H,14,15)
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n/an/a 955n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8886
PNG
((8E)-8-(1H-Imidazol-5-ylmethylene)-5,6,7,8-tetrahy...)
Show SMILES N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)
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n/an/a 970n/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 48: 1796-805 (2005)


Article DOI: 10.1021/jm049600p
BindingDB Entry DOI: 10.7270/Q2RN362H
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9486
PNG
(6-(1H-Imidazol-1-ylmethyl)-2H-chrome-2-thione | 6-...)
Show SMILES S=c1ccc2cc(Cn3ccnc3)ccc2o1
Show InChI InChI=1S/C13H10N2OS/c17-13-4-2-11-7-10(1-3-12(11)16-13)8-15-6-5-14-9-15/h1-7,9H,8H2
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n/an/a 1.13E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10041
PNG
(7-(1H-imidazol-1-ylmethyl)isoquinoline | 7-[(Imida...)
Show SMILES C(c1ccc2ccncc2c1)n1ccnc1
Show InChI InChI=1S/C13H11N3/c1-2-12-3-4-14-8-13(12)7-11(1)9-16-6-5-15-10-16/h1-8,10H,9H2
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n/an/a 1.38E+3n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9470
PNG
(4-(1H-Imidazol-1-ylmethyl)-2H-chromen-2-one | CHEM...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccccc2o1
Show InChI InChI=1S/C13H10N2O2/c16-13-7-10(8-15-6-5-14-9-15)11-3-1-2-4-12(11)17-13/h1-7,9H,8H2
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n/an/a 2.10E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10034
PNG
(1-[(2E)-2-(6,7-dihydro-1-benzofuran-4(5H)-ylidene)...)
Show SMILES C(\C=C1/CCCc2occc12)n1ccnc1
Show InChI InChI=1S/C13H14N2O/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+
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n/an/a 2.40E+3n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9469
PNG
(3-(1H-Imidazol-1-ylmethyl)-7-methoxy-2H-chromen-2-...)
Show SMILES COc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
Show InChI InChI=1S/C14H12N2O3/c1-18-12-3-2-10-6-11(8-16-5-4-15-9-16)14(17)19-13(10)7-12/h2-7,9H,8H2,1H3
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n/an/a 2.82E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9464
PNG
(1-(9H-Fluoren-9-yl)-1H-imidazole | CHEMBL225447 | ...)
Show SMILES c1cn(cn1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C16H12N2/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)18-10-9-17-11-18/h1-11,16H
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n/an/a 2.85E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9462
PNG
(1-{2-methyl-5H-indeno[1,2-d]pyrimidin-5-yl}-1H-imi...)
Show SMILES Cc1ncc2C(c3ccccc3-c2n1)n1ccnc1
Show InChI InChI=1S/C15H12N4/c1-10-17-8-13-14(18-10)11-4-2-3-5-12(11)15(13)19-7-6-16-9-19/h2-9,15H,1H3
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n/an/a 2.85E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10040
PNG
(6-(1H-imidazol-1-yl)isoquinoline | 6-(Imidazol-1-y...)
Show SMILES c1cn(cn1)-c1ccc2cnccc2c1
Show InChI InChI=1S/C12H9N3/c1-2-12(15-6-5-14-9-15)7-10-3-4-13-8-11(1)10/h1-9H
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n/an/a 3.06E+3n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10038
PNG
(1-[2-(1-benzothiophen-4-yl)ethyl]-1H-imidazole | 1...)
Show SMILES C(Cn1ccnc1)c1cccc2sccc12
Show InChI InChI=1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2
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n/an/a 3.56E+3n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9472
PNG
(7-Methoxy-4-(1H-1,2,4-triazol-1-ylmethyl)-2H-chrom...)
Show SMILES COc1ccc2c(Cn3cncn3)cc(=O)oc2c1
Show InChI InChI=1S/C13H11N3O3/c1-18-10-2-3-11-9(6-16-8-14-7-15-16)4-13(17)19-12(11)5-10/h2-5,7-8H,6H2,1H3
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n/an/a 3.60E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM10037
PNG
(1-[(2Z)-2-(6,7-dihydro-1-benzothien-4(5H)-ylidene)...)
Show SMILES C(\C=C1\CCCc2sccc12)n1ccnc1
Show InChI InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4-
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n/an/a 3.90E+3n/an/an/an/a7.430



Universitat des Saarlandes



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ...


J Med Chem 43: 1841-51 (2000)


Article DOI: 10.1021/jm991180u
BindingDB Entry DOI: 10.7270/Q2D21VTH
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9468
PNG
(1-(9-Phenyl-9H-fluoren-9-yl)-1H-1,2,4-triazole | C...)
Show SMILES c1ncn(n1)C1(c2ccccc2-c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H15N3/c1-2-8-16(9-3-1)21(24-15-22-14-23-24)19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-15H
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n/an/a 4.00E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM9482
PNG
(4-(1H-Imidazol-1-ylmethyl)-3-phenyl-2H-chromen-2-o...)
Show SMILES O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c22-19-18(14-6-2-1-3-7-14)16(12-21-11-10-20-13-21)15-8-4-5-9-17(15)23-19/h1-11,13H,12H2
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n/an/a 5.13E+3n/an/an/an/a7.430



University of Bari



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aroma...


J Med Chem 47: 6792-803 (2004)


Article DOI: 10.1021/jm049535j
BindingDB Entry DOI: 10.7270/Q2MS3R0C
More data for this
Ligand-Target Pair
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