BDBM50170586 (3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-phenylpropanamido]propanamido]-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(2R)-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}propanoic acid::CHEMBL429557

SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O

InChI Key InChIKey=LPYOFVQCAYSFSJ-ZPHNVFFWSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50170586   

TargetNeuronal acetylcholine receptor; alpha2/beta4(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170586((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Affinity DataIC50:  0.75nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4; Range is 0.3-1.5 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170586((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Affinity DataIC50:  0.75nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 0.3-1.5 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170586((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Affinity DataIC50:  0.75nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2; Range is 0.3-1.5 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170586((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Affinity DataIC50:  0.75nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.3-1.5 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170586((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Affinity DataIC50:  0.75nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2; Range is 0.3-1.5 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-2(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170586((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)
Affinity DataIC50:  0.75nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta2; Range is 0.3-1.5 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed