BDBM50253336 CHEMBL4069717

SMILES COc1ccc(cn1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1

InChI Key InChIKey=KCSQENQJCUBRRC-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 = 50253336   

TargetCytochrome P450 2D6(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253336(CHEMBL4069717)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253336(CHEMBL4069717)
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2019
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253336(CHEMBL4069717)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253336(CHEMBL4069717)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2019
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253336(CHEMBL4069717)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2019
Entry Details Article
PubMed