BDBM50352096 CHEMBL1824234

SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1

InChI Key InChIKey=IIGOTHGDDVVXRO-UHFFFAOYSA-N

Data  2 KI  3 IC50

  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 5 hits for monomerid = 50352096   

TargetCytochrome P450 2C9(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50352096(CHEMBL1824234)
Affinity DataIC50: 2.23E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50352096(CHEMBL1824234)
Affinity DataIC50: 4.17E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50352096(CHEMBL1824234)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50352096(CHEMBL1824234)
Affinity DataKi:  0.330nMAssay Description:Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetHistamine H3 receptor(Mouse)
Bioprojet-Biotech

Curated by ChEMBL
LigandPNGBDBM50352096(CHEMBL1824234)
Affinity DataKi:  1nMAssay Description:Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed