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BDBM25817 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol::CHEMBL106::Diflucan::Fluconazole::Fluconazole (f)::Fungata::Triflucan::US10221160, Fluconazole::US9138393, Fluconazole::US9144538, Fluconazole::US9221791, Fluconazole::US9556143, Fluconazole::cid_3365
SMILES: OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChI Key: InChIKey=RFHAOTPXVQNOHP-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells | Mol Pharmacol 61: 964-73 (2002) Article DOI: 10.1124/mol.61.5.964 BindingDB Entry DOI: 10.7270/Q2W95B7Z | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| P-glycoprotein 1 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells | Mol Pharmacol 61: 964-73 (2002) Article DOI: 10.1124/mol.61.5.964 BindingDB Entry DOI: 10.7270/Q2W95B7Z | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Queen's University | Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem... | J Pharmacol Exp Ther 319: 277-84 (2006) Article DOI: 10.1124/jpet.106.102699 BindingDB Entry DOI: 10.7270/Q2HH6HD9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 230 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University | Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51. | Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7 | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Sterol 14-alpha demethylase (CYP51) (Trypanosoma brucei) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 340 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University | Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51. | Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 125 (CYP125) (Mycobacterium tuberculosis) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4.31E+4 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay Description Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 142 (CYP142) (Mycobacterium tuberculosis) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 8.60E+5 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay Description Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US8883797 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JRF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US8883797 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JRF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US8883797 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JRF | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Procter & Gamble Company US Patent | Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ... | US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Procter & Gamble Company US Patent | Assay 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 ... | US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M... | US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M... | US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M... | US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky University in Olomouc Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP2C9 by P450-Glo luminescence assay | J Med Chem 59: 4601-10 (2016) Article DOI: 10.1021/acs.jmedchem.5b01891 BindingDB Entry DOI: 10.7270/Q2D220JZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Eur J Med Chem 44: 2913-22 (2009) Article DOI: 10.1016/j.ejmech.2008.12.004 BindingDB Entry DOI: 10.7270/Q2NC6174 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 51(CYP51) (Mycobacterium tuberculosis) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 (docked) | ||||||||||||
| Cytochrome P450 121 (Mycobacterium tuberculosis) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 | 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) | ||||||||||||
| Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 | |||||||||||||
| 14-alpha sterol demethylase Cyp51A (Neosartorya fumigata (strain ATCC MYA-4609 / Af293...) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | KEGG UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli | Antimicrob Agents Chemother 54: 4225-34 (2010) Article DOI: 10.1128/AAC.00316-10 BindingDB Entry DOI: 10.7270/Q2X34XRK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 14-alpha sterol demethylase (Neosartorya fumigata) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4.03E+3 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli | Antimicrob Agents Chemother 54: 4225-34 (2010) Article DOI: 10.1128/AAC.00316-10 BindingDB Entry DOI: 10.7270/Q2X34XRK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Malate dehydrogenase cytoplasmic (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of malate dehydrogenase (MDH) | J Med Chem 46: 4477-86 (2003) Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-lactamase AmpC (Escherichia coli) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Compound was tested for the inhibition of beta-lactamase | J Med Chem 46: 4477-86 (2003) Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Compound was tested for the inhibition of Chymotrypsinogen | J Med Chem 46: 4477-86 (2003) Article DOI: 10.1021/jm030191r BindingDB Entry DOI: 10.7270/Q2X34Z5C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 51 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0420 | 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) Article DOI: 10.1016/s0960-894x(98)00316-3 BindingDB Entry DOI: 10.7270/Q2H997D2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
| Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
| Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 | |||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 μM by serial dilution with DMS... | US Patent US9556143 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SMF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | US Patent US9556143 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SMF | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals, Inc. US Patent | US Patent US9556143 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SMF | ||||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 51 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0390 | 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) Article DOI: 10.1016/s0960-894x(98)00316-3 BindingDB Entry DOI: 10.7270/Q2H997D2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mycovia Pharmaceuticals, Inc. US Patent | Assay Description Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared... | US Patent US10221160 (2019) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mycovia Pharmaceuticals, Inc. US Patent | Assay Description Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared... | US Patent US10221160 (2019) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A (Homo sapiens (Human)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mycovia Pharmaceuticals, Inc. US Patent | Assay Description Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared... | US Patent US10221160 (2019) | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Cytochrome P450 51(CYP51) (Mycobacterium tuberculosis) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 (docked) | ||||||||||||
| Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat)) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Queen's University | Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem... | J Pharmacol Exp Ther 319: 277-84 (2006) Article DOI: 10.1124/jpet.106.102699 BindingDB Entry DOI: 10.7270/Q2HH6HD9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
