BindingDB

null

SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 31774

Lanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Swansea University

Curated by ChEMBL

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)copy SMILEScopy InChI

Kd: 200nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP51More data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

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

Details Article
BindingDB Entry DOI: 10.7270/Q22V2GCBPubMed

Cytochrome P450 130(Mycobacterium tuberculosis)
Swansea University

Curated by ChEMBL

BDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)copy SMILEScopy InChI

Kd: 1.33E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP130More data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

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

Details Article
BindingDB Entry DOI: 10.7270/Q22V2GCBPubMed

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 35 ▿
- 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
- 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 32 ▿
- [Pfizer Inc.] 7
- [St. Jude Children's Research Hospital, F. Hoffmann-LaRoche Ltd., University of North Carolina Chapel Hill School of Medicine ] 6
- [St. Jude Children's Research Hospital, F. Hoffmann-LaRoche Ltd., University of North Carolina Chapel Hill School of Medicine ] 6
- [St. Jude Children's Research Hospital, F. Hoffmann-LaRoche Ltd., University of North Carolina Chapel Hill School of Medicine ] 6
- [Swansea University] 4
- [Northwestern University, Manchester Interdisciplinary Biocentre, 4SC AG] 3
- [Northwestern University, Manchester Interdisciplinary Biocentre, 4SC AG] 3
- [Northwestern University, Manchester Interdisciplinary Biocentre, 4SC AG] 3
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [The University of Sydney, TBA, Queen's University, Lilly Research Laboratories, Jagiellonian University, University of California, San Francisco, University of California San Francisco, University of Chemistry and Technology Prague, The Procter & Gamble Company] 2
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 1
- [Jadavpur University, Johns Hopkins University, Accelrys, University of California, ACT LLC, Broad Institute, Universita' di Siena, Shenyang Pharmaceutical University, NMMLSC, City of Hope National Medical Center, Icagen, Inc., Tel Aviv University, AstraZeneca, TCG Lifesciences Ltd., University of Cambridge] 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