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

Data  8 KI  113 IC50  7 Kd

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 8610   

TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataIC50:  513nMAssay Description:Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataIC50:  141nMAssay Description:Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation us...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataIC50:  162nMAssay Description:Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataIC50:  439nMAssay Description:Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Affinity DataKd:  3.10E+3nMAssay Description:Binding affinity to heme in His-tagged CYP3A5 (unknown origin) expressed in Escherichia coli DH5alpha assessed as changes in absorbance spectra of he...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed