BDBM8610 1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one::24F2-1,25(OH)D3::CHEMBL75::KTZ::Ketoconazole::Ketoconazole (k)::US9138393, Ketoconozole::US9144538, Ketoconozole
SMILES CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 134 hits for monomerid = 8610
Affinity DataIC50: 0.180nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of CYP3A4 (unknown origin) using DBF as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90nMAssay Description:Inhibition of CYP2D6 (unknown origin) using EOMCC as a substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 2.40nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BOMCC as a substrate incubated for 20 mins by fluorescence based analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 7nMAssay Description:Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataKi: 7nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 9.80nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes assessed as dibenzo fluuorescene oxidation up to 40 uMMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP2D6 (unknown origin) after 2 hrs by firefly luciferase-luminescence based P450-glo assayMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam and testosterone as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS...More data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:Inhibition of CYP3A4 in in human liver microsomes at incubated for 10 mins in presence of CYP3A4 substrate/NADP+ by fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataKi: 11nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 12nMAssay Description:Inhibition of CYP3A4 in human liver microsome using Nifedipine as a substrate incubated for 10 mins in the presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 13nMAssay Description:Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 13nMAssay Description:Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi (strain CL Brener))
Universidad De Navarra
Curated by ChEMBL
Universidad De Navarra
Curated by ChEMBL
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant Trypanosoma cruzi Tulahuen strain CYP51 expressed in Escherichia coli JM109More data for this Ligand-Target Pair
Affinity DataIC50: 17nMAssay Description:Inhibition of CYP3A4 in pooled human liver microsomes pre-incubated for 5 mins before NADPH addition and measured after 10 mins by UPLC-MS/MS analysi...More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 3 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase(Trypanosoma cruzi (strain CL Brener))
Universidad De Navarra
Curated by ChEMBL
Universidad De Navarra
Curated by ChEMBL
Affinity DataKd: 20nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
Affinity DataIC50: 22nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins followed by NADPH addition and measured after 20 min...More data for this Ligand-Target Pair
Affinity DataIC50: 22nMAssay Description:Inhibition of CYP3A4T in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataKi: 24nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in baculosomes by fluorescent homogenous assayMore data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of CYP3A4 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of CYP3A4 (unknown origin) using 7-BFC as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 30nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 32nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
Affinity DataIC50: 34nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 34nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass s...More data for this Ligand-Target Pair
Affinity DataIC50: 35nMAssay 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: 36nMAssay Description:Inhibition of CYP3A4M in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 37nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 37nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 38nMAssay Description:Inhibition of CYP3A4 in human liver microsome using midazolam as substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 38nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate in presence of NADPH incubated for 10 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 39nMAssay Description:Inhibition of CYP3A4M in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence methodMore data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence methodMore data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPHMore data for this Ligand-Target Pair
Affinity DataIC50: 46nMAssay Description:Inhibition of CYP3A4 (unknown origin) using ketoconazole as substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 47nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
Affinity DataIC50: 48nMAssay Description:Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...More data for this Ligand-Target Pair
Affinity DataKi: 49nMAssay Description:Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataKi: 53nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
Affinity DataIC50: 55nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BOMCC as a substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 56nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 60nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins after substrate addition by HPLC analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 60nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in metabolite formation using midazolam as substrate incubated for 10 mins in pr...More data for this Ligand-Target Pair
