Found 133 hits of ic50 for monomerid = 31768 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 |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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
Reactome pathway KEGG
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate. |
J Med Chem 38: 2463-71 (1995)
BindingDB Entry DOI: 10.7270/Q20K27KR |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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
Reactome pathway KEGG
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Campaign Centre for Cancer Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes |
J Med Chem 39: 3319-23 (1996)
Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3 |
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 MMDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01015 BindingDB Entry DOI: 10.7270/Q2057KRW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat... |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 |
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 MMDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 54: 534-47 (2011)
Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University
Curated by ChEMBL
| Assay Description Inhibition of human placental microsome CYP19 |
Bioorg Med Chem Lett 20: 3050-64 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.113 BindingDB Entry DOI: 10.7270/Q2CJ8FFS |
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 MMDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology (UST)
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition |
Eur J Med Chem 103: 210-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.001 BindingDB Entry DOI: 10.7270/Q2DR2XBB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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| n/a | n/a | <62 | n/a | n/a | n/a | n/a | n/a | n/a |
Chung-Ang University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsome |
Bioorg Med Chem Lett 24: 4271-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.026 BindingDB Entry DOI: 10.7270/Q261122X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%. |
J Med Chem 38: 2463-71 (1995)
BindingDB Entry DOI: 10.7270/Q20K27KR |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory
Curated by ChEMBL
| Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase |
J Med Chem 38: 4191-7 (1995)
BindingDB Entry DOI: 10.7270/Q2NK3D2C |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research Campaign Centre for Cancer Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes |
J Med Chem 39: 3319-23 (1996)
Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate |
ACS Med Chem Lett 2: 2-6 (2011)
Article DOI: 10.1021/ml100071j BindingDB Entry DOI: 10.7270/Q28W3DKS |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector |
ACS Med Chem Lett 2: 559-564 (2011)
Article DOI: 10.1021/ml100283h BindingDB Entry DOI: 10.7270/Q21R6RJ2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of human testicular microsomal Cytochrome P450 17A1 |
J Med Chem 40: 3297-304 (1997)
Article DOI: 10.1021/jm970337k BindingDB Entry DOI: 10.7270/Q2ZS2VMD |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of human testicular microsomal Cytochrome P450 17A1 |
J Med Chem 41: 902-12 (1998)
Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrate |
J Med Chem 58: 2077-87 (2015)
Article DOI: 10.1021/jm501239f BindingDB Entry DOI: 10.7270/Q2MS3VFF |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(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 | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP11B1 (unknown origin) overexpressed in human AD293 cells assessed as reduction in cortisol formation preincubated for 60... |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 |
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 MMDB
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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 | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP24A1 in human epidermal keratinocytes |
Bioorg Med Chem 18: 4939-46 (2010)
Article DOI: 10.1016/j.bmc.2010.06.011 BindingDB Entry DOI: 10.7270/Q2HT2Q91 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate |
ACS Med Chem Lett 2: 2-6 (2011)
Article DOI: 10.1021/ml100071j BindingDB Entry DOI: 10.7270/Q28W3DKS |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector |
ACS Med Chem Lett 2: 559-564 (2011)
Article DOI: 10.1021/ml100283h BindingDB Entry DOI: 10.7270/Q21R6RJ2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(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 | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
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 MMDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 assessed as conversion of luciferin-PPXE to D-luciferin by luminescence Glo assay |
Eur J Med Chem 103: 238-51 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.014 BindingDB Entry DOI: 10.7270/Q25M67JQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 assessed as remaining enzyme activity by measuring conversion of luciferin-PPXE into D-luciferin by luminescen... |
J Med Chem 58: 5274-86 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00578 BindingDB Entry DOI: 10.7270/Q2251KXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 assessed as effect on conversion of beetle D-luciferin derivative into D-luciferin by firefly luciferase based... |
Bioorg Med Chem 23: 2548-61 (2015)
Article DOI: 10.1016/j.bmc.2015.03.038 BindingDB Entry DOI: 10.7270/Q2HM5B49 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 MMDB
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| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysis |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016 BindingDB Entry DOI: 10.7270/Q2X63PW4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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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| n/a | n/a | 152 | 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 | |
Lanosterol 14-alpha demethylase
(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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H |
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 KEGG
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| n/a | n/a | 195 | 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 MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes preincubated for 10 mins by fluorescence assay |
Bioorg Med Chem Lett 25: 297-301 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.046 BindingDB Entry DOI: 10.7270/Q2R2130R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | 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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| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/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 20: 5345-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.100 BindingDB Entry DOI: 10.7270/Q2DF6RF1 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | 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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| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of rat Cytochrome P450 17A1 |
J Med Chem 41: 902-12 (1998)
Article DOI: 10.1021/jm970568r BindingDB Entry DOI: 10.7270/Q2GH9H2N |
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 MMDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate |
J Med Chem 57: 4640-60 (2014)
Article DOI: 10.1021/jm500109z BindingDB Entry DOI: 10.7270/Q2TQ6335 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heme oxygenase 1
(Rattus norvegicus (rat)) | 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 | 300 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Queen's University
| Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem... |
J Pharmacol Exp Ther 319: 277-84 (2006)
Article DOI: 10.1124/jpet.106.102699 BindingDB Entry DOI: 10.7270/Q2HH6HD9 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University
Curated by ChEMBL
| Assay Description Inhibition of human CYP24 hydroxylase expressed in V79 cells |
J Med Chem 47: 6854-63 (2004)
Article DOI: 10.1021/jm040129+ BindingDB Entry DOI: 10.7270/Q2ZW1MRZ |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of human CYP24A1 expressed in chinese hamster V79 cells |
Bioorg Med Chem 18: 4939-46 (2010)
Article DOI: 10.1016/j.bmc.2010.06.011 BindingDB Entry DOI: 10.7270/Q2HT2Q91 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Rattus norvegicus (Rat)) | 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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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Szeged
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins |
Eur J Med Chem 70: 649-60 (2013)
Article DOI: 10.1016/j.ejmech.2013.10.038 BindingDB Entry DOI: 10.7270/Q2C24XVM |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | 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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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035 BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | 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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Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND |
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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| n/a | n/a | 369 | 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 | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314 BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035 BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP24A1 expressed in CHO cells |
Eur J Med Chem 45: 4427-34 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.001 BindingDB Entry DOI: 10.7270/Q2ZW1M4W |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(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 | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting |
Bioorg Med Chem 18: 4939-46 (2010)
Article DOI: 10.1016/j.bmc.2010.06.011 BindingDB Entry DOI: 10.7270/Q2HT2Q91 |
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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| n/a | n/a | 543 | 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 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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| n/a | n/a | 608 | 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 | |
Cytochrome P450 11B2, mitochondrial
(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 | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)
Curated by ChEMBL
| Assay Description Inhibition of human aldosterone synthase expressed in V79 MZ cells |
J Med Chem 57: 5011-22 (2014)
Article DOI: 10.1021/jm401430e BindingDB Entry DOI: 10.7270/Q2QR4ZRP |
More data for this Ligand-Target Pair | |