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 [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl
InChI Key InChIKey=XMAYWYJOQHXEEK-OZXSUGGESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 127 hits for monomerid = 8610
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 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
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
University Of Wisconsin
University Of Wisconsin
Affinity DataKi: 24nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
Target1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial(Homo sapiens (Human))
University Of Wisconsin
University Of Wisconsin
Affinity DataKi: 32nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.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
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Homo sapiens (Human))
University Of Wisconsin
University Of Wisconsin
Affinity DataKi: 53nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Homo sapiens (Human))
University Of Wisconsin
University Of Wisconsin
Affinity DataKi: 92nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
TargetCytochrome P450 4F2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Affinity DataKi: 740nMAssay Description:Inhibition of human CYP4F2 in human liver microsomes assessed as fingolimod metabolismMore data for this Ligand-Target Pair
Affinity DataIC50: 224nMpH: 7.4 T: 2°CAssay 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 DataAssay Description:The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...More data for this Ligand-Target Pair
Affinity DataIC50: 40nMAssay Description:The enzyme activity was assayed by measuring the 3H-labeled H2O formed from 3H-labeled androstenedione during aromatization. After incubation, the re...More data for this Ligand-Target Pair
Affinity DataIC50: 224nMAssay 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: 81nMAssay 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: 2.78E+3nMpH: 7.4 T: 2°CAssay Description:The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...More data for this Ligand-Target Pair
Affinity DataIC50: 67nMAssay 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: 72nMAssay Description:To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was...More data for this Ligand-Target Pair
Affinity DataIC50: 127nMAssay 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 DataKd: 20nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
Affinity DataKd: 2.30E+3nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
Affinity DataKd: 1.34E+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 DataKd: 2.71E+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: 2.10E+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 DataIC50: 8.80E+3nMpH: 7.4 T: 2°CAssay Description:Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at about the time of slaughter from a food-processing company) and immediately...More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay 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: 8.80E+3nMpH: 7.4Assay Description:All procedures were carried out under minimal light in order to prevent degradation of the retinoid samples.Microsomal preparation: one lobe of fresh...More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay 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
TargetCytochrome P450 4F2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Novartis Institutes For Biomedical Research
Curated by ChEMBL
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human recombinant CYP4F2 assessed as fingolimod metabolismMore data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore 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: 1.56E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 8.94E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.45E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: <100nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.63E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 0.180nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Inhibition of recombinant human CYP3A4 by luminescence -based microplate reader assayMore data for this Ligand-Target Pair
Affinity DataIC50: 280nMAssay Description:Inhibition of human recombinant CYP3A4 using BFC as substrate incubated for 30 mins by fluorimetryMore data for this Ligand-Target Pair
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant human CYP3A4 by P450-Glo luminescence assayMore 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: 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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School Of Medicine
Curated by ChEMBL
Vanderbilt University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 1.20E+3nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School Of Medicine
Curated by ChEMBL
Vanderbilt University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 5.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubucin transport in G185 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School Of Medicine
Curated by ChEMBL
Vanderbilt University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 5.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School Of Medicine
Curated by ChEMBL
Vanderbilt University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 5.34E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School Of Medicine
Curated by ChEMBL
Vanderbilt University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 2.34E+4nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 6.54E+4nMAssay Description:TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP)More data for this Ligand-Target Pair