BDBM50206754 CHEMBL3969352

SMILES CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1

InChI Key InChIKey=VQZYCUDEMAKCAT-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50206754   

TargetCytochrome P450 2D6(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL
LigandPNGBDBM50206754(CHEMBL3969352)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as reduction in formation of 1'-hydroxy-bufuralol from bufuralol preincubated with enzyme fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL
LigandPNGBDBM50206754(CHEMBL3969352)
Affinity DataKi:  19nMAssay Description:Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Sumitomo Dainippon Pharma

Curated by ChEMBL
LigandPNGBDBM50206754(CHEMBL3969352)
Affinity DataKi:  23nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2018
Entry Details Article
PubMed