BDBM50240844 (S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-acetamido-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid::(S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::(S)-2-{2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-1-oxo-propylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL344337

SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=ZUADVYNSAVMKLJ-CUICDERCSA-N

Data  2 KI  1 IC50  1 EC50

  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 = 50240844   

TargetNeurotensin receptor type 1(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM50240844((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...)
Affinity DataKi:  0.130nMAssay Description:Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)More data for this Ligand-Target Pair
In DepthDetails Article
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University Of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240844((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...)
Affinity DataKi:  1.81nMAssay Description:Displacement of [125I]I-Tyr(3)NT from human NTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University Of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240844((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...)
Affinity DataIC50:  2.42nMAssay Description:Displacement of [125I]I-Tyr(3)NT from human NTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Medical University Of South Carolina

Curated by ChEMBL
LigandPNGBDBM50240844((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...)
Affinity DataEC50:  1.89nMAssay Description:Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed