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PubMed code 16750362

Compile data set for download or QSAR
Found 32 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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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
Cytochrome P450 17A1


(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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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
Cytochrome P450 17A1


(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



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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50188089
PNG
(1-(3,5-difluorobenzyl)-1H-imidazole | CHEMBL446946)
Show SMILES Fc1cc(F)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H8F2N2/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 1.18E+4n/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
Cytochrome P450 17A1


(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 1.22E+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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
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 1.84E+4n/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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50188096
PNG
(1-(3,5-bis(trifluoromethyl)benzyl)-1H-imidazole | ...)
Show SMILES FC(F)(F)c1cc(Cn2ccnc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C12H8F6N2/c13-11(14,15)9-3-8(6-20-2-1-19-7-20)4-10(5-9)12(16,17)18/h1-5,7H,6H2
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n/an/a 1.95E+4n/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
Cytochrome P450 17A1


(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 2.26E+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
Cytochrome P450 17A1


(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 2.54E+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
Cytochrome P450 17A1


(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 2.60E+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
Cytochrome P450 17A1


(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 3.16E+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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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n/an/a 3.91E+4n/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
Cytochrome P450 17A1


(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 4.03E+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
Cytochrome P450 17A1


(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 5.06E+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
Cytochrome P450 17A1


(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 5.34E+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
Cytochrome P450 17A1


(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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n/an/a 7.07E+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
Cytochrome P450 17A1


(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 7.21E+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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50188089
PNG
(1-(3,5-difluorobenzyl)-1H-imidazole | CHEMBL446946)
Show SMILES Fc1cc(F)cc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H8F2N2/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 8.31E+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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
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 8.66E+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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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n/an/a 2.15E+5n/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
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50188096
PNG
(1-(3,5-bis(trifluoromethyl)benzyl)-1H-imidazole | ...)
Show SMILES FC(F)(F)c1cc(Cn2ccnc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C12H8F6N2/c13-11(14,15)9-3-8(6-20-2-1-19-7-20)4-10(5-9)12(16,17)18/h1-5,7H,6H2
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n/an/a 2.45E+5n/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
* indicates data uncertainty>20%