BDBM50510842 CHEMBL4533184

SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c4CCCc4nc4ccccc34)c2c1

InChI Key InChIKey=BIULMVQRVRFGEB-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 = 50510842   

TargetAcetylcholinesterase(Rat)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50510842(CHEMBL4533184)
Affinity DataIC50: 3.32E+3nMAssay Description:Inhibition of rat cortex acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50510842(CHEMBL4533184)
Affinity DataIC50: 76nMAssay Description:Inhibition of SERT (unknown origin) expressed in HEK293 cells assessed as reduction in 5-HT reuptake incubated for 30 mins followed by centrifugation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50510842(CHEMBL4533184)
Affinity DataEC50:  107nMAssay Description:Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed