BDBM50319375 (2R,3S,6S,9S,12S)-9-(3-amino-3-oxopropyl)-18-(4-(4-((S)-1-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3-methylbutylamino)-4-methyl-1-oxopentan-2-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-ylamino)-5-guanidino-1-oxopentan-2-ylamino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)-3-((S)-2-((S)-1-carboxy-3-methylbutylcarbamoyl)pyrrolidine-1-carbonyl)-6-(hydroxymethyl)-12-(2-(methylthio)ethyl)-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecan-2-yl phosphate::CHEMBL1086463

SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=ZKYQHTLXVWIBSI-KEYVCFQZSA-N

Data  1 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 1 hit for monomerid = 50319375   

TargetNeurotensin receptor type 1(Homo sapiens (Human))
Institute of Radiopharmacy

Curated by ChEMBL
LigandPNGBDBM50319375((2R,3S,6S,9S,12S)-9-(3-amino-3-oxopropyl)-18-(4-(4...)
Affinity DataIC50:  8.30E+3nMAssay Description:Displacement of [3H]neurotensin from NTR1 in human HT29 cells after 30 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed