BDBM50253823 (1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46-(2-aminoacetamido)-30,33-bis(carbamoylmethyl)-19-(hydroxymethyl)-39-methyl-16,36-bis(2-methylpropyl)-3,9,15,18,21,29,32,35,38,41,47-undecaoxo-24,25,43,44-tetrathia-2,8,14,17,20,28,31,34,37,40,48-undecaazatetracyclo[20.19.7.0^{4,8}.0^{10,14}]octatetracontane-27-carboxylic acid::CHEMBL460988

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(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=ONFRBJNNWKMBKB-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 = 50253823   

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

Curated by ChEMBL
LigandPNGBDBM50253823((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)
Affinity DataIC50: 207nMAssay 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
LigandPNGBDBM50253823((1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46...)
Affinity DataKi:  4.50E+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