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 67 hits for monomerid = 25817
Affinity DataKi: >4.00E+5nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children'S Research Hospital
Curated by ChEMBL
St. Jude Children'S Research Hospital
Curated by ChEMBL
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children'S Research Hospital
Curated by ChEMBL
St. Jude Children'S Research Hospital
Curated by ChEMBL
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore 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
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: >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
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 DataKd: 230nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
Affinity DataKd: 340nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
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
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
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: 8.20E+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: 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: 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: 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: 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:M...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:M...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:M...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
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4More 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
Affinity DataKd: 6.00E+3nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP121More data for this Ligand-Target Pair
Affinity DataKd: 7.00E+4nMAssay Description:Binding affinity to human CYP51More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase cyp51A(Neosartorya fumigata (strain ATCC MYA-4609 / Af293...)
Swansea University
Curated by ChEMBL
Swansea University
Curated by ChEMBL
Affinity DataKd: 1.19E+4nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKd: 4.03E+3nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetMalate dehydrogenase, cytoplasmic(Homo sapiens (Human))
Northwestern University
Curated by ChEMBL
Northwestern University
Curated by ChEMBL
Affinity DataIC50: >4.00E+5nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
Affinity DataIC50: >4.00E+5nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
Affinity DataIC50: >4.00E+5nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
Affinity DataIC50: 137nMAssay Description:In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 1)More data for this Ligand-Target Pair
Affinity DataKd: 4.00E+4nMAssay Description:Binding affinity to human His-tagged CYP51 expressed in Escherichia coliMore data for this Ligand-Target Pair
Affinity DataKd: 1.20E+5nMAssay Description:Binding affinity to human CYP51More data for this Ligand-Target Pair
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase 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: 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
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Viamet Pharmaceuticals
Curated by ChEMBL
Viamet Pharmaceuticals
Curated by ChEMBL
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
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Viamet Pharmaceuticals
Curated by ChEMBL
Viamet Pharmaceuticals
Curated by ChEMBL
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
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Viamet Pharmaceuticals
Curated by ChEMBL
Viamet Pharmaceuticals
Curated by ChEMBL
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
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Viamet Pharmaceuticals
Curated by ChEMBL
Viamet Pharmaceuticals
Curated by ChEMBL
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