BindingDB BDBM31772 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid::Brentan::CHEMBL91::Dactarin::Miconazole::US9138393, Miconazole Nitrate::US9144538, Miconazole Nitrate::cid

BDBM31772 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid::Brentan::CHEMBL91::Dactarin::Miconazole::US9138393, Miconazole Nitrate::US9144538, Miconazole Nitrate::cid_4189

SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

InChI Key InChIKey=BYBLEWFAAKGYCD-UHFFFAOYSA-N

Data 5 KI 53 IC50 5 Kd 4 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 31772

Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 5.00E+3nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair

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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

PDB MMDB Reactome pathway KEGG
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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 5.00E+3nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair

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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

PDB MMDB Reactome pathway KEGG
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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 851nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair

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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 180nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair

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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 850nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 74nMAssay Description:Inhibition of CYP3A4 in human liver microsome using Nifedipine as a substrate incubated for 10 mins in the presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair

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Cytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent

BDBM31772(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)

IC50: 1nMAssay Description:Inhibition of CYP3A4 in human liver Microsome using midazolam as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair

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Filter my 67 hits

Targets 32▿
- ATP-dependent translocase ABCB1 9
- Cytochrome P450 3A4 9
- Indoleamine 2,3-dioxygenase 1 5
- Cytochrome P450 1A2 3
- Cytochrome P450 2C19 3
- Aromatase 2
- Methionine--tRNA ligase 2
- Lanosterol 14-alpha demethylase 2
- Protein RecA 2
- Steroid C26-monooxygenase 2
- Cytochrome P450 2J2 2
- Acetylcholinesterase 2
- Calcium release-activated calcium channel protein 1 2
- Beta-lactamase TEM 2
- Cholinesterase 2
- Bile salt export pump 2
- Cytochrome P450 144 1
- Beta-lactamase 1
- Malate dehydrogenase, cytoplasmic 1
- Indoleamine 2,3-dioxygenase 2 1
- Mycocyclosin synthase 1
- ATP-binding cassette sub-family C member 3 1
- Heme oxygenase 2 1
- ATP-binding cassette sub-family C member 4 1
- Heme oxygenase 1 1
- ATP-binding cassette sub-family C member 2 1
- Chymotrypsinogen A 1
- Alkaline phosphatase, tissue-nonspecific isozyme 1
- Cytochrome P450 2C9 1
- Metabotropic glutamate receptor 6 1
- Cytochrome P450 2D6 1
- Steroid 17-alpha-hydroxylase/17,20 lyase 1
Publications 34▿
- J Med Chem 65: 15238-15262 (2022) 7
- J Med Chem 46: 1716-25 (2003) 6
- Toxicol Sci 136: 216-41 (2013) 4
- Bioorg Med Chem 26: 1665-1674 (2018) 3
- J Med Chem 46: 4477-86 (2003) 3
- Bioorg Med Chem Lett 34: (2021) 3
- J Biol Chem 285: 38270-82 (2010) 3
- J Pharmacol Exp Ther 303: 323-32 (2002) 2
- Bioorg Med Chem 25: 440-449 (2017) 2
- PubChem Bioassay (2013) 2
- Bioorg Med Chem Lett 22: 7641-6 (2012) 2
- Eur J Med Chem 84: 284-301 (2014) 2
- US Patent US9138393 (2015) 2
- US Patent US9144538 (2015) 2
- J Pharmacol Exp Ther 319: 277-84 (2006) 2
- Drug Metab Dispos 40: 943-51 (2012) 2
- Mol Pharmacol 61: 964-73 (2002) 2
- J Med Chem 62: 9593-9599 (2019) 2
- ACS Med Chem Lett 5: 999-1004 (2014) 1
- Bioorg Med Chem Lett 29: 2016-2024 (2019) 1
- J Med Chem 30: 1359-65 (1987) 1
- PubChem Bioassay (2010) 1
- J Med Chem 46: 2345-51 (2003) 1
- Eur J Med Chem 224: (2021) 1
- PubChem Bioassay (2009) 1
- Eur J Med Chem 44: 2913-22 (2009) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- Drug Metab Dispos 35: 493-500 (2007) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- Bioorg Med Chem Lett 24: 3234-7 (2014) 1
- PubChem Bioassay (2010) 1
- Eur J Med Chem 45: 69-77 (2010) 1
- J Med Chem 59: 3272-302 (2016) 1
- Antimicrob Agents Chemother 53: 1157-64 (2009) 1
Institutions 30▿
- National Institute Of Diabetes And Digestive And Kidney Diseases 7
- F. Hoffmann-La Roche 6
- Amgen 4
- The Procter & Gamble 4
- China Pharmaceutical University 3
- Northwestern University 3
- Southwest University 3
- Manchester Interdisciplinary Biocentre 3
- Swiss Institute Of Bioinformatics 2
- Shenyang Pharmaceutical University 2
- Korea University 2
- The University Of Queensland 2
- Eli Lilly 2
- Pfizer 2
- The University Of Sydney 2
- St. Jude Children'S Research Hospital 2
- University Of California 2
- The Scripps Research Institute Molecular Screening Center 2
- Broad Institute 2
- Queen'S University 2
- TBA 1
- Jadavpur University 1
- Johns Hopkins University 1
- Accelrys 1
- Act 1
- Swansea University 1
- Astrazeneca 1
- Sanford-Burnham Center For Chemical Genomics 1
- University Of Cambridge 1
- Universit£T Leipzig 1
Affinity: 0.020 to 1.3E+5 nM▿
- Ki 5
- IC50 53
- Kd 5
- EC50 4
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1