BDBM50448471 CHEMBL3126382

SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)C1CCCC1

InChI Key InChIKey=CMKZQSHWRVZOOY-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50448471   

TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of human CYP2D6 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP1A2 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed