BDBM50170600 (3S)-3-{[(2S)-1-[(2S)-2-[(2S)-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]-4-methylpentanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]propanamido]propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid::CHEMBL409988

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

InChI Key InChIKey=MQVPACXYSJDEHQ-MVPSLEAZSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50170600   

TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Homo sapiens (Human))
The Danish University Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50170600((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)
Affinity DataIC50:  9.60nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2More 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
LigandPNGBDBM50170600((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)
Affinity DataIC50:  9.60nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2More 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
LigandPNGBDBM50170600((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)
Affinity DataIC50:  9.60nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7More 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
LigandPNGBDBM50170600((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)
Affinity DataIC50:  9.60nMAssay Description:Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed