BindingDB BDBM31768 CHEMBL295698::Ketoconazole::Nizoral::Panfungol

BDBM31768 CHEMBL295698::Ketoconazole::Nizoral::Panfungol

SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-ZEQKJWHPSA-N

Data 15 KI 133 IC50 6 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 31768

Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

Ki: 38nMAssay Description:Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrateMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

Ki: 38nMAssay Description:Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM)More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 920nMAssay Description:Inhibition of human testicular 17-alpha-hydroxylaseMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 78nMAssay Description:Inhibition of human testicular microsomal Cytochrome P450 17A1More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 78nMAssay Description:Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrateMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 860nMAssay Description:Inhibition of human testicular steroid 17-alpha-hydroxylaseMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 1.07E+3nMAssay Description:Inhibition of rat testicular microsomal Cytochrome P450 17A1More data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 77nMAssay Description:Inhibition of human testicular microsomal Cytochrome P450 17A1More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 209nMAssay Description:Inhibition of rat Cytochrome P450 17A1More data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL

BDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)

IC50: 1.10E+3nMAssay Description:In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coliMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Filter my 154 hits

Targets 31▿
- Steroid 17-alpha-hydroxylase/17,20 lyase 51
- Aromatase 15
- Cytochrome P450 3A4 13
- 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial 11
- Lanosterol 14-alpha demethylase 9
- ATP-dependent translocase ABCB1 8
- Cytochrome P450 11B1, mitochondrial 6
- Cytochrome P450 11B2, mitochondrial 5
- Gonadotropin-releasing hormone receptor 4
- 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial 4
- Steroid 21-hydroxylase 3
- Cytochrome P450 2A2 2
- Cytochrome P450 2C11 2
- Indoleamine 2,3-dioxygenase 1 2
- Cholesterol side-chain cleavage enzyme, mitochondrial 2
- Cytochrome P450 7A1 2
- Beta-lactamase 1
- Polyunsaturated fatty acid 5-lipoxygenase 1
- UDP-glucuronosyltransferase 1-6 1
- Malate dehydrogenase, cytoplasmic 1
- UDP-glucuronosyltransferase 1A1 1
- UDP-glucuronosyltransferase 1A4 1
- UDP-glucuronosyltransferase 2B7 1
- UDP-glucuronosyltransferase 2B10 1
- Potassium voltage-gated channel subfamily H member 2 1
- Heme oxygenase 2 1
- Heme oxygenase 1 1
- Phospholipase A2, major isoenzyme 1
- Sodium/bile acid cotransporter 1
- Chymotrypsinogen A 1
- Prostaglandin G/H synthase 1/2 1
- ...
Publications 50▿
- J Med Chem 35: 2818-25 (1992) 18
- Bioorg Med Chem Lett 26: 5825-5829 (2016) 5
- J Enzyme Inhib Med Chem 26: 386-93 (2011) 5
- Eur J Med Chem 87: 39-51 (2014) 4
- J Med Chem 38: 4191-7 (1995) 4
- J Med Chem 57: 7702-15 (2014) 4
- J Med Chem 53: 5049-53 (2010) 4
- J Med Chem 32: 2036-8 (1989) 4
- J Med Chem 46: 4477-86 (2003) 3
- J Med Chem 43: 4266-77 (2000) 3
- Bioorg Med Chem 18: 4939-46 (2010) 3
- J Med Chem 36: 2235-7 (1993) 3
- J Med Chem 41: 902-12 (1998) 3
- J Med Chem 35: 3148-55 (1992) 3
- J Med Chem 39: 3319-23 (1996) 3
- J Med Chem 46: 1716-25 (2003) 3
- ACS Med Chem Lett 2: 559-564 (2011) 2
- Bioorg Med Chem Lett 16: 4011-5 (2006) 2
- J Med Chem 43: 4437-45 (2000) 2
- Bioorg Med Chem Lett 22: 718-22 (2011) 2
- Eur J Med Chem 45: 4427-34 (2010) 2
- Bioorg Med Chem Lett 25: 297-301 (2014) 2
- Bioorg Med Chem Lett 16: 4752-6 (2006) 2
- J Med Chem 40: 3297-304 (1997) 2
- J Pharmacol Exp Ther 319: 277-84 (2006) 2
- Mol Pharmacol 61: 964-73 (2002) 2
- J Med Chem 45: 5671-86 (2002) 2
- Drug Metab Dispos 35: 493-500 (2007) 2
- Bioorg Med Chem Lett 19: 4698-701 (2009) 2
- J Med Chem 39: 4335-9 (1996) 2
- J Med Chem 58: 2077-87 (2015) 2
- J Med Chem 38: 2463-71 (1995) 2
- ACS Med Chem Lett 2: 2-6 (2011) 2
- J Med Chem 33: 2452-5 (1990) 2
- Eur J Med Chem 84: 284-301 (2014) 2
- Bioorg Med Chem Lett 20: 5345-8 (2010) 2
- J Med Chem 57: 5011-22 (2014) 2
- ACS Med Chem Lett 5: 999-1004 (2014) 1
- Bioorg Med Chem 16: 8466-70 (2008) 1
- Bioorg Med Chem 16: 1992-2010 (2008) 1
- J Med Chem 48: 2972-84 (2005) 1
- J Med Chem 57: 4640-60 (2014) 1
- J Med Chem 54: 2307-19 (2011) 1
- J Pharmacol Exp Ther 291: 1204-9 (1999) 1
- J Med Chem 54: 534-47 (2011) 1
- J Nat Prod 70: 353-60 (2007) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- Bioorg Med Chem 20: 2603-13 (2012) 1
- Bioorg Med Chem Lett 18: 267-73 (2008) 1
- Eur J Med Chem 103: 210-22 (2015) 1
- ...
Institutions 34▿
- Syntex Research 18
- Cardiff University 13
- University Of Maryland 10
- Saarland University 8
- University Of The Saarland 5
- Temple University School Of Pharmacy 5
- Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences 5
- Abbott Laboratories 4
- TBA 4
- Kingston University 4
- Institute Of Cancer Research 4
- University Of The West Of Scotland 4
- Crc Laboratory 4
- Syntex Discovery Research 3
- F. Hoffmann-La Roche 3
- Northwestern University 3
- Dupont Pharmaceuticals 3
- Cancer Research Campaign Centre For Cancer Therapeutics 3
- Swiss Institute Of Bioinformatics 2
- Act 2
- Eli Lilly 2
- Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips) 2
- Mcmaster University 2
- Bulgarian Academy Of Sciences 2
- University Of Waterloo 2
- Queen'S University 2
- Korea University 1
- University Of Lille 1
- Vanderbilt University School Of Medicine 1
- Northern Kentucky University 1
- Johns Hopkins University 1
- King'S College London 1
- Korea University Of Science And Technology (Ust) 1
- University Of Bonn 1
- ...
Affinity: 25 to 1.0E+6 nM▿
- Ki 15
- IC50 133
- Kd 6
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1