BDBM50516319 CHEMBL4443205

SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(N)=O

InChI Key InChIKey=VUVGEYBNLLGGBG-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50516319   

TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Rat)
Veterans Affairs Medical Center

Curated by ChEMBL
LigandPNGBDBM50516319(CHEMBL4443205)
Affinity DataIC50: 7.70nMAssay Description:Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes by two electrode voltage-clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAcetylcholine-binding protein(Great pond snail)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50516319(CHEMBL4443205)
Affinity DataKi:  9.12E+3nMAssay Description:Displacement of [3H]-epibatidine from Lymnaea stagnalis Acetylcholine-binding protein measured after 1 hr by liquid scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed