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::US11247981, Example Fluconazole::US9138393, Fluconazole::US9144538, Fluconazole::US9221791, Fluconazole::US9556143, Fluconazole::cid_3365
SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChI Key InChIKey=RFHAOTPXVQNOHP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 68 hits for monomerid = 25817
Affinity DataIC50: 8.20E+3nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 127nMAssay Description:In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 2)More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay 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 ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of CYP2C9 in human hepatocyte microsomes using diclofenac substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP2C19 in human hepatocyte microsomes using omeprazole substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP11B1 in human hepatocyte microsomes using deoxycortisol substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP11B2 in human hepatocyte microsomes using deoxycorticosteroid substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of CYP17 lyase in human hepatocyte microsomes using 17a-hydroxypregnenolone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of CYP17 hydroxylase in human hepatocyte microsomes using pregnenolone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of CYP19 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 137nMAssay Description:In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005)More data for this Ligand-Target Pair
Affinity DataIC50: 2.90E+4nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+4nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay 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...More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi (strain CL Brener))
Instituto Oswaldo Cruz
Curated by ChEMBL
Instituto Oswaldo Cruz
Curated by ChEMBL
Affinity DataIC50: 880nMAssay Description:Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growt...More data for this Ligand-Target Pair
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by flu...More data for this Ligand-Target Pair
Affinity DataIC50: 2.40E+4nMAssay 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
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 116nMAssay Description:Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.90E+4nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 8.20E+3nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 134nMAssay Description:Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.89E+4nMAssay Description:Inhibition of candida albicans CYP51 using 7-ethoxyresorufin as fluorescent substrate incubated for 10 mins in the presence of NADPH by fluorescence ...More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of CYP51 in Candida albicans SC5314 using Eburicol as substrate preincubated for 20 mins followed by substrate addition and measured after...More data for this Ligand-Target Pair
Affinity DataIC50: 148nMAssay Description:Inhibition of CYP51 in Candida albicans ATCC SC5314 incubated for 30 mins using eburicol as substrate in presence of NADPH by HPLC analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 110nMAssay Description:Inhibition of CYP51 in Candida albicans ATCC SC5314 assessed as reduction in substrate consumption using lanosterol as substrate preincubated for 30 ...More data for this Ligand-Target Pair
Affinity DataIC50: 159nMAssay Description:Inhibition of Candida albicans ATCC SC5314 CYP51 using lanosterol as substrate incubated for 30 mins by HPLC assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.90E+4nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+3nMAssay 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:MeC...More data for this Ligand-Target Pair
Affinity DataIC50: 8.20E+3nMAssay 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:MeC...More data for this Ligand-Target Pair
Affinity DataIC50: 2.90E+4nMAssay 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:MeC...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay 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 ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay 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
Affinity DataIC50: 8.00E+3nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 8.20E+3nMAssay 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...More data for this Ligand-Target Pair
Affinity DataIC50: 9.21E+3nMAssay Description:Inhibition of recombinant human CYP2C9 by P450-Glo luminescence assayMore data for this Ligand-Target Pair
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre
Manchester Interdisciplinary Biocentre
Affinity DataKd: 8.60E+5nMAssay 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...More data for this Ligand-Target Pair
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre
Manchester Interdisciplinary Biocentre
Affinity DataKd: 4.31E+4nMAssay 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...More data for this Ligand-Target Pair
TargetLanosterol 14-alpha-demethylase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Vanderbilt University
Vanderbilt University
Affinity DataKd: 340nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi (strain CL Brener))
Instituto Oswaldo Cruz
Curated by ChEMBL
Instituto Oswaldo Cruz
Curated by ChEMBL
Affinity DataKd: 230nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetLanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University of California San Francisco
University of California San Francisco
Affinity DataKd: 3.00E+4nMpH: 7.5 T: 2°CAssay 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 ...More data for this Ligand-Target Pair
TargetLanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University of California San Francisco
University of California San Francisco
Affinity DataKd: 200nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP51More data for this Ligand-Target Pair