Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50000321 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(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 | PDB
MMDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(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 | PDB
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Bos taurus) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Bos taurus) | BDBM31768
(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 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 7A1
(Rattus norvegicus) | BDBM31768
(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 | Reactome pathway
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Bos taurus) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A2
(Rattus norvegicus) | BDBM31768
(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 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A2
(Rattus norvegicus) | BDBM31768
(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 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 7A1
(Rattus norvegicus) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | Reactome pathway
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | PDB
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Bos taurus) | BDBM31768
(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 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A2
(Rattus norvegicus) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | KEGG
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| n/a | n/a | 786 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | PDB
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Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A2
(Rattus norvegicus) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | KEGG
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| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM31768
(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 | Reactome pathway
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| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 7A1
(Rattus norvegicus) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | Reactome pathway
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| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | PDB
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| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | PDB
MMDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 7A1
(Rattus norvegicus) | BDBM31768
(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 | Reactome pathway
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| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | Reactome pathway
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| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | Reactome pathway
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| n/a | n/a | 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | PDB
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| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | PDB
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| n/a | n/a | 4.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM31768
(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 | Reactome pathway
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| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | PDB
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| n/a | n/a | 6.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| n/a | n/a | 9.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C11
(Rattus norvegicus) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | Reactome pathway
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| n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C11
(Rattus norvegicus) | BDBM50004442
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)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+/m0/s1 | Reactome pathway
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| n/a | n/a | 3.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50004441
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)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 | PDB
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| n/a | n/a | 3.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| n/a | n/a | 3.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C11
(Rattus norvegicus) | BDBM31768
(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 | Reactome pathway
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| n/a | n/a | 8.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C11
(Rattus norvegicus) | BDBM31768
(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 | Reactome pathway
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| n/a | n/a | 1.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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Similars
| PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
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