BDBM50259867 (-)-clusin::CHEMBL479701

SMILES COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2O)cc(OC)c1OC

InChI Key InChIKey=SOCNBZCAGNYAED-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50259867   

TargetCytochrome P450 3A4(Human)
Toyama Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50259867((-)-clusin | CHEMBL479701)
Affinity DataIC50: 830nMAssay Description:Inhibition of human liver microsome CYP3A4 in assessed as [14C]formaldehyde formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Toyama Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50259867((-)-clusin | CHEMBL479701)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Toyama Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50259867((-)-clusin | CHEMBL479701)
Affinity DataKi:  82nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed