BDBM50253825 (1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-18,21-bis(carbamoylmethyl)-9-(carboxymethyl)-48-(hydroxymethyl)-27-methyl-24,45-bis(2-methylpropyl)-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecaazapentacyclo[28.20.7.0^{12,16}.0^{33,37}.0^{39,43}]heptapentacontane-6-carboxylic acid::CHEMBL443173

SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](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(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2

InChI Key InChIKey=GFLCJKRFGJHLJU-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 = 50253825   

TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50253825((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)
Affinity DataIC50: 115nMAssay Description:Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAcetylcholine-binding protein(Great pond snail)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50253825((1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,...)
Affinity DataKi:  3.10E+3nMAssay Description:Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed