Found 15 hits Enz. Inhib. hit(s) with Target = 'Lanosterol 14-alpha demethylase' and Ligand = 'BDBM25817' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01451 BindingDB Entry DOI: 10.7270/Q2RN3CZ7 |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112991 BindingDB Entry DOI: 10.7270/Q2X63RP8 |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 2) |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113972 BindingDB Entry DOI: 10.7270/Q2PG1WMV |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 1) |
Bioorg Med Chem Lett 8: 1819-24 (1998)
BindingDB Entry DOI: 10.7270/Q2H997D2 |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005) |
Citation and Details
Article DOI: 10.1016/S0960-894X(01)80190-6 BindingDB Entry DOI: 10.7270/Q2RF5XRV |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00878 BindingDB Entry DOI: 10.7270/Q2NV9P7Z |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| Article PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113950 BindingDB Entry DOI: 10.7270/Q21R6VKR |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00196a BindingDB Entry DOI: 10.7270/Q2K64P16 |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| Article PubMed
| n/a | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description Binding affinity to human CYP51 |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| Article PubMed
| n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d. d.
Curated by ChEMBL
| Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli |
Bioorg Med Chem 16: 209-21 (2008)
Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| n/a | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a |
Swansea University
Curated by ChEMBL
| Assay Description Binding affinity to human CYP51 |
Antimicrob Agents Chemother 53: 1157-64 (2009)
Article DOI: 10.1128/AAC.01237-08 BindingDB Entry DOI: 10.7270/Q22V2GCB |
More data for this Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB MMDB
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| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Swansea University
Curated by ChEMBL
| Assay Description Binding affinity to Mycobacterium tuberculosis CYP51 |
Antimicrob Agents Chemother 53: 1157-64 (2009)
Article DOI: 10.1128/AAC.01237-08 BindingDB Entry DOI: 10.7270/Q22V2GCB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lanosterol 14-alpha demethylase
(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB MMDB
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| n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | 7.5 | 37 |
University of California at San Francisco
| Assay Description The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ... |
Antimicrob Agents Chemother 51: 3915-23 (2007)
Article DOI: 10.1128/AAC.00311-07 BindingDB Entry DOI: 10.7270/Q20V8B3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |