BDBM50004442 (2S,4S)-ketoconazole::1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine::CHEMBL319160::CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE

SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-JYFHCDHNSA-N

Data  9 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004442   

TargetSteroid 21-hydroxylase(Human)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  4.46E+3nMAssay Description:Inhibition of Progesterone 21-hydroxylase cytochrome P450 21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A2(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  1.08E+3nMAssay Description:Inhibition of cytochrome P450 progesterone 15-alpha hydroxylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Human)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  3.98E+3nMAssay Description:Inhibition of cytochrome P450 19A1 involved in steroid biosynthesisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Bovine)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  247nMAssay Description:Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  2.95E+3nMAssay Description:Inhibition of cholesterol side chain cleavage cytochrome P450More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  570nMAssay Description:Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 7A1(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  546nMAssay Description:Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C11(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Affinity DataIC50:  3.43E+4nMAssay Description:Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed