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

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 3 hits for monomerid = 8610   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Temple University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 8610BDBM8610(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 Depth
Date in BDB:
5/11/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Temple University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 8610BDBM8610(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 Depth
Date in BDB:
5/11/2020
Entry Details Article
PubMed
TargetAromatase(Human)
Temple University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 8610BDBM8610(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 Depth
Date in BDB:
5/11/2020
Entry Details Article
PubMed