BDBM50587088 CHEMBL5082749

SMILES CSCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(OS(O)(=O)=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)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2

InChI Key InChIKey=IJYMBMDTVAYQHZ-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50587088   

TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Hainan University

Curated by ChEMBL
LigandPNGBDBM50587088(CHEMBL5082749)
Affinity DataIC50: 30nMAssay Description:Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential prei...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50587088(CHEMBL5082749)
Affinity DataIC50: 501nMAssay Description:Antagonist activity at human alpha3beta4 nAChR in SH-SY5Y cells assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetAcetylcholine-binding protein(Great pond snail)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50587088(CHEMBL5082749)
Affinity DataKi: <1.00E+5nMAssay 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