BDBM50253821 (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]-27,30-dimethyl-48-(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::CHEMBL505891

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(O)=O

InChI Key InChIKey=BHGZSJBFLBMODY-MVPSLEAZSA-N

Data  2 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 3 hits for monomerid = 50253821   

TargetAcetylcholine-binding protein(Lymnaea stagnalis)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50253821((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Affinity DataKi:  124nMAssay Description:Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50253821((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
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 DepthDetails PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50253821((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Affinity DataIC50:  252nMAssay 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 DepthDetails ArticlePubMed