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)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data  9 KI  117 IC50  7 Kd

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 134 hits for monomerid = 8610   

TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataAssay 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
In DepthDetails Article
PubMed
TargetAromatase(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 72nMAssay 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
In DepthDetails Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetSterol 14-alpha demethylase(Trypanosoma cruzi (strain CL Brener))
Vanderbilt University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataKd:  20nMpH: 6.0Assay Description:Azole derivatives used as an inhibitor of TB and TC CYP51.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLanosterol 14-alpha-demethylase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Vanderbilt University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 144(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails
US Patent

TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails
US Patent

TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails
US Patent

TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails
US Patent

TargetCytochrome P450 4F2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human recombinant CYP4F2 assessed as fingolimod metabolismMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 0.180nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 140nMAssay Description:Inhibition of recombinant human CYP3A4 by luminescence -based microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant human CYP3A4 by P450-Glo luminescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails
PubMed
TargetATP-dependent translocase ABCB1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 5.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin transport in G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 5.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 5.34E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 2.34E+4nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 136nMAssay Description:Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 1.80E+3nMAssay 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
In DepthDetails Article
PubMed
TargetAromatase(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of CYP19 (unknown origin) by Becton Dickinson aromatase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 146nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP3A4 (unknown origin) after 2 hrs by firefly luciferase-luminescence based P450-glo assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Saarland University

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 140nMAssay Description:Inhibition of recombinant human CYP3A4 using Luciferin-BE as substrate in presence of NADPH by P450-Glo luminescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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