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

Steroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Accelrys

Curated by ChEMBL

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

Ki: 81.5nMAssay Description:In vitro inhibition of human Cytochrome P450 17A1 activityMore data for this Ligand-Target Pair

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

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Nuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL

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

Ki: 100nMAssay Description:Binding affinity to biotinylated human CAR LBD after 1 hr by Scintillation Proximity AssayMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
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ATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children'S Research Hospital

Curated by ChEMBL

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

Ki: 1.83E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
GoogleScholar

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ATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children'S Research Hospital

Curated by ChEMBL

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

Ki: 2.51E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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ATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL

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

Ki: 2.99E+4nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

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Sarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University Of Chemistry And Technology Prague

Curated by ChEMBL

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

Ki: 3.50E+4nMAssay Description:Inhibition of rabbit skeletal muscle microsomes SERCA1aMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

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CHEMBL DrugBank MCE
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ATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL

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

Ki: 4.40E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

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CHEMBL DrugBank MCE
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Details Article PubMed

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