BDBM50059090 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide::CHEMBL405598::SMS 201-995::octreotide

SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1

InChI Key InChIKey=DEQANNDTNATYII-LIXSYSMXSA-N

Data  95 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50059090   

TargetMu-type opioid receptor(Homo sapiens (Human))
University of Pennsylvania

Curated by PDSP Ki Database
LigandPNGBDBM50059090(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In DepthDetails PubMed