BindingDB logo
myBDB logout

PubMed code 16279787

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))
BDBM9914
PNG
(3-[(R)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...)
Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
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/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9916
PNG
(3-[(R)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...)
Show SMILES Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9915
PNG
(3-[(S)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...)
Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9918
PNG
(4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...)
Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1 |r|
Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9917
PNG
(3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...)
Show SMILES Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9919
PNG
(4-[(S)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...)
Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1 |r|
Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/an/an/an/a7.430



University of Bologna



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: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9914
PNG
(3-[(R)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...)
Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9917
PNG
(3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...)
Show SMILES Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9916
PNG
(3-[(R)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H...)
Show SMILES Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9918
PNG
(4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...)
Show SMILES O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1 |r|
Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9919
PNG
(4-[(S)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...)
Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1 |r|
Show InChI InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
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/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM9915
PNG
(3-[(S)-1H-imidazol-1-yl(4-nitrophenyl)methyl]-4H-c...)
Show SMILES O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
Show InChI InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



University of Bologna



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Med Chem 48: 7282-9 (2005)


Article DOI: 10.1021/jm058042r
BindingDB Entry DOI: 10.7270/Q2JS9NN9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%