BDBM151585 US11739089, Compound Ketoconazole::US8987315, Ketoconazole::US9180183, Ketoconazole::US9271963, Ketoconazole::US9394290, KTZ (ketoconazole)::US9963439, Ketoconazole

SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data  2 KI  49 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 151585   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Telormedix

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  12nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
Telormedix

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  120nMAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Telormedix

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  12nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
TargetCytochrome P450 3A5(Homo sapiens (Human))
Telormedix

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  120nMT: 2°CAssay Description:The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...More data for this Ligand-Target Pair
In DepthDetails US Patent