BDBM50203331 CHEMBL3964421

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

InChI Key InChIKey=AOIUBDCZJGGRCL-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50203331   

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

Curated by ChEMBL
LigandPNGBDBM50203331(CHEMBL3964421)
Affinity DataIC50: 19nMAssay Description:Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2018
Entry Details Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50203331(CHEMBL3964421)
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant CYP11B1 (unknown origin) overexpressed in human AD293 cells assessed as reduction in cortisol formation preincubated for 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2018
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50203331(CHEMBL3964421)
Affinity DataIC50: 185nMAssay 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:
8/8/2018
Entry Details Article
PubMed
TargetSteroid 21-hydroxylase(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50203331(CHEMBL3964421)
Affinity DataIC50: 166nMAssay Description:Inhibition of recombinant CYP21 (unknown origin) overexpressed in human AD293 cells assessed as reduction in 11-deoxycortisol formation preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2018
Entry Details Article
PubMed
TargetAromatase(Human)
Temple University

Curated by ChEMBL
LigandPNGBDBM50203331(CHEMBL3964421)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Cyp19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2018
Entry Details Article
PubMed