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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'dhanani' and Initial = 's'   
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296974
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-iodobenzenesu...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13IN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 65.1n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50188097
PNG
(1-(4-Chlorobenzyl)-1H-imidazole | CHEMBL441367)
Show SMILES Clc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 70n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296973
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-bromobenzenes...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13BrN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 70.4n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296970
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-nitrobenzenes...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13N3O5S/c20-19(21)14-3-7-16(8-4-14)25(22,23)24-15-5-1-13(2-6-15)11-18-10-9-17-12-18/h1-10,12H,11H2
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n/an/a 85n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296972
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-chlorobenzene...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13ClN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 98.7n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296975
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-methoxybenzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C17H16N2O4S/c1-22-15-6-8-17(9-7-15)24(20,21)23-16-4-2-14(3-5-16)12-19-11-10-18-13-19/h2-11,13H,12H2,1H3
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n/an/a 101n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50188093
PNG
(1-(4-Nitro-benzyl)-1H-imidazole | 1-(4-nitrobenzyl...)
Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
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n/an/a 130n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296971
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-fluorobenzene...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13FN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 210n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296969
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-methylbenzene...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C17H16N2O3S/c1-14-2-8-17(9-3-14)23(20,21)22-16-6-4-15(5-7-16)12-19-11-10-18-13-19/h2-11,13H,12H2,1H3
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n/an/a 230n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296976
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)14-3-7-16(8-4-14)26(23,24)25-15-5-1-13(2-6-15)11-22-10-9-21-12-22/h1-10,12H,11H2
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n/an/a 291n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50191795
PNG
(CHEMBL386256 | N-3-(4-bromophenyl)propyl imidazole)
Show SMILES Brc1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C12H13BrN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
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n/an/a 330n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50191792
PNG
(1-(3-(4-chlorophenyl)propyl)-1H-imidazole | CHEMBL...)
Show SMILES Clc1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
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n/an/a 550n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50188085
PNG
(1-(4-Fluorobenzyl)-1H-imidazole | CHEMBL377770)
Show SMILES Fc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9FN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 880n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50008733
PNG
(1-(4-Cyanobenzyl)-1H-imidazole | 4-((1H-imidazol-1...)
Show SMILES N#Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of aromatase


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188092
PNG
(1-(4-iodobenzyl)-1H-imidazole | 4-iodobenzyl imida...)
Show SMILES Ic1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188092
PNG
(1-(4-iodobenzyl)-1H-imidazole | 4-iodobenzyl imida...)
Show SMILES Ic1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50191794
PNG
(1-(3-(4-fluorophenyl)propyl)-1H-imidazole | CHEMBL...)
Show SMILES Fc1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C12H13FN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
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n/an/a 1.96E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188095
PNG
(1-(3,4-Dichloro-benzyl)-1H-imidazole | 1-(3,4-dich...)
Show SMILES Clc1ccc(Cn2ccnc2)cc1Cl
Show InChI InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
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n/an/a 2.07E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188097
PNG
(1-(4-Chlorobenzyl)-1H-imidazole | CHEMBL441367)
Show SMILES Clc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 2.81E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188088
PNG
(1-(4-bromobenzyl)-1H-imidazole | CHEMBL211207)
Show SMILES Brc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 2.85E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189963
PNG
(1-(4-hydroxyphenyl)nonan-1-one | CHEMBL213237)
Show SMILES CCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
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n/an/a 2.86E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50191795
PNG
(CHEMBL386256 | N-3-(4-bromophenyl)propyl imidazole)
Show SMILES Brc1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C12H13BrN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
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n/an/a 2.95E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188091
PNG
(1-(3,5-dibromobenzyl)-1H-imidazole | CHEMBL211276)
Show SMILES Brc1cc(Br)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H8Br2N2/c11-9-3-8(4-10(12)5-9)6-14-2-1-13-7-14/h1-5,7H,6H2
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n/an/a 3.16E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188094
PNG
(1-(3,5-dichlorobenzyl)-1H-imidazole | CHEMBL210125)
Show SMILES Clc1cc(Cl)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H8Cl2N2/c11-9-3-8(4-10(12)5-9)6-14-2-1-13-7-14/h1-5,7H,6H2
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n/an/a 3.34E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17alpha-hydroxylase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296973
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-bromobenzenes...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13BrN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 4.84E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188097
PNG
(1-(4-Chlorobenzyl)-1H-imidazole | CHEMBL441367)
Show SMILES Clc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 4.94E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189961
PNG
(1-(4-hydroxyphenyl)decan-1-one | CHEMBL214141)
Show SMILES CCCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-16(18)14-10-12-15(17)13-11-14/h10-13,17H,2-9H2,1H3
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n/an/a 4.97E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50191792
PNG
(1-(3-(4-chlorophenyl)propyl)-1H-imidazole | CHEMBL...)
Show SMILES Clc1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
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n/an/a 5.85E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296975
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-methoxybenzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C17H16N2O4S/c1-22-15-6-8-17(9-7-15)24(20,21)23-16-4-2-14(3-5-16)12-19-11-10-18-13-19/h2-11,13H,12H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50191796
PNG
(1-(3-phenylpropyl)-1H-imidazole | CHEMBL380271)
Show SMILES C(Cc1ccccc1)Cn1ccnc1
Show InChI InChI=1S/C12H14N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-3,5-6,8,10-11H,4,7,9H2
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n/an/a 6.14E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat testis 17,20 lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.092
BindingDB Entry DOI: 10.7270/Q2P55N43
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189956
PNG
(1-(4-hydroxyphenyl)octan-1-one | CHEMBL213038)
Show SMILES CCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C14H20O2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,15H,2-7H2,1H3
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n/an/a 6.52E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188088
PNG
(1-(4-bromobenzyl)-1H-imidazole | CHEMBL211207)
Show SMILES Brc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 6.76E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296972
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-chlorobenzene...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13ClN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 6.85E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296970
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-nitrobenzenes...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13N3O5S/c20-19(21)14-3-7-16(8-4-14)25(22,23)24-15-5-1-13(2-6-15)11-18-10-9-17-12-18/h1-10,12H,11H2
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n/an/a 6.88E+3n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188093
PNG
(1-(4-Nitro-benzyl)-1H-imidazole | 1-(4-nitrobenzyl...)
Show SMILES [O-][N+](=O)c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
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n/an/a 7.17E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189962
PNG
(1-(4-hydroxyphenyl)dodecan-1-one | CHEMBL214017)
Show SMILES CCCCCCCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,19H,2-11H2,1H3
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n/an/a 7.55E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50008733
PNG
(1-(4-Cyanobenzyl)-1H-imidazole | 4-((1H-imidazol-1...)
Show SMILES N#Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
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n/an/a 7.67E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189958
PNG
(1-(4-hydroxyphenyl)heptan-1-one | CHEMBL213954)
Show SMILES CCCCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
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PubMed
n/an/a 7.84E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188086
PNG
(4-((1H-imidazol-1-yl)methyl)phenol | 4-Imidazol-1-...)
Show SMILES Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H10N2O/c13-10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8,13H,7H2
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n/an/a 8.22E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188087
PNG
(1-(4-methyl-benzyl)-1H-imidazole | 1-(4-methylbenz...)
Show SMILES Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H12N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
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n/an/a 8.81E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188090
PNG
(1-(3,4-difluorobenzyl)-1H-imidazole | CHEMBL373588)
Show SMILES Fc1ccc(Cn2ccnc2)cc1F
Show InChI InChI=1S/C10H8F2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
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PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17,20-lyase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50296974
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-iodobenzenesu...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C16H13IN2O3S/c17-14-3-7-16(8-4-14)23(20,21)22-15-5-1-13(2-6-15)11-19-10-9-18-12-19/h1-10,12H,11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188092
PNG
(1-(4-iodobenzyl)-1H-imidazole | 4-iodobenzyl imida...)
Show SMILES Ic1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 19: 4698-701 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.070
BindingDB Entry DOI: 10.7270/Q29K4B72
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50188092
PNG
(1-(4-iodobenzyl)-1H-imidazole | 4-iodobenzyl imida...)
Show SMILES Ic1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C10H9IN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal 17alpha-hydroxylase component of P450-17alpha


Bioorg Med Chem Lett 16: 4011-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.070
BindingDB Entry DOI: 10.7270/Q27M07J2
More data for this
Ligand-Target Pair
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