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)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 4.46E+3nMAssay Description:Inhibition of Progesterone 21-hydroxylase cytochrome P450 21More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2A2(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 1.08E+3nMAssay Description:Inhibition of cytochrome P450 progesterone 15-alpha hydroxylaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAromatase(Human)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 3.98E+3nMAssay Description:Inhibition of cytochrome P450 19A1 involved in steroid biosynthesisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Bovine)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 247nMAssay Description:Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C11(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 3.43E+4nMAssay Description:Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 570nMAssay Description:Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetLanosterol 14-alpha demethylase(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 7A1(Rat)
Syntex Research

Curated by ChEMBL
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 546nMAssay Description:Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50004442((2S,4S)-ketoconazole | CHEMBL319160 | CIS-1-ACETYL...)
Affinity DataIC50: 2.95E+3nMAssay Description:Inhibition of cholesterol side chain cleavage cytochrome P450More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed