BDBM50253820 (1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,51S,56R)-56-(2-aminoacetamido)-21,24-bis(carbamoylmethyl)-12-(carboxymethyl)-51-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-30-methyl-27,48-bis(2-methylpropyl)-8,11,14,20,23,26,29,32,35,41,47,50,53,55-tetradecaoxo-3,4,58,59-tetrathia-7,10,13,19,22,25,28,31,34,40,46,49,52,54-tetradecaazapentacyclo[31.20.7.0^{15,19}.0^{36,40}.0^{42,46}]hexacontane-6-carboxylic acid::CHEMBL510519

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](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)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=KUSOVIFHNPOWCX-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 = 50253820   

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

Curated by ChEMBL
LigandPNGBDBM50253820((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Affinity DataIC50: 55nMAssay 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
LigandPNGBDBM50253820((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Affinity DataKi:  43nMAssay 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