null

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

InChI Key InChIKey=CMKZQSHWRVZOOY-PMERELPUSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
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(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)copy SMILEScopy InChI
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of human CYP2D6 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC126QPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC126QPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP1A2 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC126QPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50448471(CHEMBL3126382)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC126QPubMed