BDBM50585444 CHEMBL5069928

SMILES O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1

InChI Key InChIKey=VKDRJSDXCOYHQJ-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 50585444   

TargetAcetylcholinesterase(Mouse)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50585444(CHEMBL5069928)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of AChE in mouse cortical homogenate using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50585444(CHEMBL5069928)
Affinity DataIC50: 36nMAssay Description:Inhibition of SERT (unknown origin) in HEK293 cells assessed as inhibition of 5-HT reuptake by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50585444(CHEMBL5069928)
Affinity DataEC50:  521nMAssay Description:Agonist activity at human 5-HT1A 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:
3/7/2023
Entry Details Article
PubMed
TargetCholinesterase(Mouse)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50585444(CHEMBL5069928)
Affinity DataIC50: 1.67E+3nMAssay Description:Inhibition of BuChE in mouse serum using butyrylthiocholine iodide as substrate incubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed