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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 8610   

TargetCytochrome P450 3A4(Human)
Saarland University

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

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
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
In DepthDetails Article
PubMed
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataKi:  24nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataKi:  32nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.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 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
In DepthDetails Article
PubMed
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Human)
University of Wisconsin

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataKi:  53nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial(Human)
University of Wisconsin

LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataKi:  92nMAssay Description:Inhibition assay using CYP24A1 and CYP27B1.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtein delta homolog 1(Human)
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataKi: <200nMAssay Description:Binding affinity to DLK (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails
PubMed
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 DataKi:  740nMAssay Description:Inhibition of human CYP4F2 in human liver microsomes assessed as fingolimod metabolismMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed