BDBM151585 US11739089, Compound Ketoconazole::US8987315, Ketoconazole::US9180183, Ketoconazole::US9271963, Ketoconazole::US9394290, KTZ (ketoconazole)::US9963439, Ketoconazole
SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 51 hits for monomerid = 151585
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: 6.93E+3nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-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: 1.28E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90E+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: 150nMAssay 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
3D Structure (crystal)Affinity DataIC50: 12nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
Affinity DataIC50: 120nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
Affinity DataIC50: 12nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
Affinity DataIC50: 120nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
Affinity DataIC50: 224nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
Affinity DataIC50: 224nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
Affinity DataIC50: 81nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
Affinity DataIC50: 81nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Universitat Des Saarlandes
US Patent
Universitat Des Saarlandes
US Patent
Affinity DataIC50: 80.5nMpH: 7.4 T: 2°CAssay Description:A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...More data for this Ligand-Target Pair
Affinity DataIC50: 127nMT: 2°CAssay Description:V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...More data for this Ligand-Target Pair
Affinity DataIC50: 67nMT: 2°CAssay Description:V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Affinity DataIC50: 20nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Affinity DataIC50: 133nMAssay Description:Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Universitat Des Saarlandes
US Patent
Universitat Des Saarlandes
US Patent
Affinity DataIC50: 48nMAssay Description:Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California
Curated by ChEMBL
University Of California
Curated by ChEMBL
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 15nMAssay Description:Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measu...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
TargetCytochrome P450 26A1(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization
US Patent
University Of Washington Through Its Center For Commercialization
US Patent
Affinity DataIC50: 660nMAssay Description:Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...More data for this Ligand-Target Pair
TargetCytochrome P450 26B1(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization
US Patent
University Of Washington Through Its Center For Commercialization
US Patent
Affinity DataIC50: 140nMAssay Description:Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization
US Patent
University Of Washington Through Its Center For Commercialization
US Patent
Affinity DataIC50: 1.56E+3nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization
US Patent
University Of Washington Through Its Center For Commercialization
US Patent
Affinity DataIC50: 2.57E+3nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
Affinity DataIC50: <20nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
Affinity DataIC50: 6.90E+4nMAssay 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: 8.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate upto 10 uM after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate upto 10 uM after 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 36nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 min...More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP3A4 (unknown origin) expressed in baculosomesMore data for this Ligand-Target Pair
Affinity DataIC50: 3.40E+3nMAssay 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
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
Cardiff University
Curated by ChEMBL
Cardiff University
Curated by ChEMBL
Affinity DataIC50: 500nMAssay Description:Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of CYP3A4 (unknown origin) by CYP3A4 P450-Glo assayMore data for this Ligand-Target Pair
Affinity DataIC50: 13nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 22nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysisMore data for this Ligand-Target Pair
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Homo sapiens (Human))
Cardiff University
Curated by ChEMBL
Cardiff University
Curated by ChEMBL
Affinity DataIC50: 340nMAssay Description:Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation coun...More data for this Ligand-Target Pair
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
Cardiff University
Curated by ChEMBL
Cardiff University
Curated by ChEMBL
Affinity DataIC50: 500nMAssay Description:Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of CYP3A4 (unknown origin) using AMMC by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 24nMAssay Description:Inhibition of CYP3A4 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 183nMAssay 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: 175nMAssay Description:Test compounds, DMSO (negative control), and ketoconazole (positive control) were diluted to 4× final concentrations in water. The standard final Com...More data for this Ligand-Target Pair
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Universitat Des Saarlandes
US Patent
Universitat Des Saarlandes
US Patent
Affinity DataIC50: 400nMAssay 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