BindingDB BDBM31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid

BDBM31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812

SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N

Data 7 KI 54 IC50 10 Kd 3 EC50

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 31774

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: >5.00E+5nMpH: 7.4 T: 2°CAssay Description:Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at about the time of slaughter from a food-processing company) and immediately...More data for this Ligand-Target Pair

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details US Patent DrugBank
PDB

3D Structure (crystal)

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: 300nMAssay 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

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details US Patent DrugBank
PDB

3D Structure (crystal)

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: <100nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: 50nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: 20nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: 67nMAssay Description:Inhibition of recombinant human CYP3A4 using Luciferin-PPXE as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins b...More data for this Ligand-Target Pair

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

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

US Patent

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)

IC50: 50nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

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

Purchase ChEBI
CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

Filter my 74 hits

Targets 43▿
- ATP-dependent translocase ABCB1 9
- Cytochrome P450 3A4 7
- Nuclear receptor subfamily 1 group I member 3 4
- Beta-lactamase 3
- Intermediate conductance calcium-activated potassium channel protein 4 3
- C-X-C chemokine receptor type 1 3
- Cytochrome P450 130 3
- Transitional endoplasmic reticulum ATPase 2
- Vasopressin V2 receptor 2
- Lanosterol 14-alpha demethylase 2
- Steroid C26-monooxygenase 2
- Voltage-dependent L-type calcium channel subunit alpha-1C 2
- Bile salt export pump 2
- Cytochrome P450 144 1
- Solute carrier family 22 member 1 1
- Malate dehydrogenase, cytoplasmic 1
- Indoleamine 2,3-dioxygenase 1 1
- Indoleamine 2,3-dioxygenase 2 1
- Potassium voltage-gated channel subfamily A member 3 1
- Mycocyclosin synthase 1
- Potassium voltage-gated channel subfamily H member 2 1
- Beta-2 adrenergic receptor 1
- Cytochrome P450 1A2 1
- Aromatase 1
- Sterol 14-alpha demethylase cyp51A 1
- Cytochrome P450 2C9 1
- Nuclear receptor subfamily 1 group I member 2 1
- Lanosterol 14a-demethylase 1
- Streptokinase A 1
- Cytochrome P450 2C8 1
- Steroid 17-alpha-hydroxylase/17,20 lyase 1
- Transient receptor potential cation channel subfamily M member 8 1
- Transient receptor potential cation channel subfamily M member 2 1
- Potassium-transporting ATPase alpha chain 1/subunit beta 1
- Heme oxygenase 2 1
- Bile acid receptor 1
- Heme oxygenase 1 1
- Histidine-rich protein PFHRP-II 1
- Chymotrypsinogen A 1
- Cytochrome P450 2C19 1
- C-C chemokine receptor type 4 1
- Cytochrome P450 2D6 1
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 1
- ...
Publications 36▿
- J Med Chem 56: 2406-14 (2013) 6
- Drug Metab Dispos 40: 943-51 (2012) 6
- J Med Chem 46: 1716-25 (2003) 6
- Eur J Med Chem 108: 505-28 (2016) 4
- Bioorg Med Chem Lett 19: 2299-304 (2009) 3
- J Med Chem 46: 4477-86 (2003) 3
- J Biol Chem 285: 38270-82 (2010) 3
- J Med Chem 50: 2385-90 (2007) 2
- J Pharmacol Exp Ther 303: 323-32 (2002) 2
- J Med Chem 63: 1937-1963 (2020) 2
- Bioorg Med Chem Lett 22: 7641-6 (2012) 2
- US Patent US9138393 (2015) 2
- J Biol Chem 284: 25211-9 (2009) 2
- J Med Chem 63: 1892-1907 (2020) 2
- J Pharmacol Exp Ther 319: 277-84 (2006) 2
- J Appl Toxicol 32: 858-66 (2012) 2
- Mol Pharmacol 61: 964-73 (2002) 2
- Antimicrob Agents Chemother 54: 4225-34 (2010) 2
- Antimicrob Agents Chemother 53: 1157-64 (2009) 2
- J Med Chem 64: 3976-3996 (2021) 1
- Bioorg Med Chem Lett 29: 2016-2024 (2019) 1
- Eur J Med Chem 46: 618-30 (2011) 1
- J Med Chem 46: 2345-51 (2003) 1
- Bioorg Med Chem 21: 4266-78 (2013) 1
- Eur J Med Chem 179: 779-790 (2019) 1
- Eur J Med Chem 44: 2913-22 (2009) 1
- J Med Chem 51: 976-82 (2008) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- Drug Metab Dispos 35: 493-500 (2007) 1
- PubChem Bioassay (2011) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- J Med Chem 60: 2685-2696 (2017) 1
- PubChem Bioassay (2009) 1
- Hepatology 60: 1015-22 (2014) 1
- J Med Chem 59: 3272-302 (2016) 1
- J Med Chem 50: 595-8 (2007) 1
Institutions 33▿
- Pfizer 7
- University Of North Carolina At Chapel Hill 6
- F. Hoffmann-La Roche 6
- St. Jude Children'S Research Hospital 6
- Swansea University 4
- 4Sc 3
- Northwestern University 3
- Manchester Interdisciplinary Biocentre 3
- TBA 2
- University Of Chemistry And Technology Prague 2
- Eli Lilly 2
- Jagiellonian University 2
- The University Of Sydney 2
- The Procter & Gamble 2
- University of California San Francisco 2
- University Of California San Francisco 2
- Queen'S University 2
- City Of Hope National Medical Center 1
- Universita' Di Siena 1
- Jadavpur University 1
- Johns Hopkins University 1
- Nmmlsc 1
- Accelrys 1
- Peking University 1
- University Of Cambridge 1
- University Of California 1
- Broad Institute 1
- Shenyang Pharmaceutical University 1
- Tcg Lifesciences 1
- Act 1
- Astrazeneca 1
- Tel Aviv University 1
- Icagen 1
Affinity: 1.8 to 2.5E+9 nM▿
- Ki 7
- IC50 54
- Kd 10
- EC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1