BDBM50009247 (S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-2-Amino-3-hydroxy-propionylamino)-propionylamino]-propionylamino}-3-hydroxy-5-phenyl-pentanoylamino)-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester::CHEMBL52495::methyl 2-[1-[3-[1-[1-[1-amino-2-hydroxy-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-2-hydroxy-4-phenyl-(2S,3S)-butylcarboxamido]-2-methyl-(1S)-propylcarboxamido]-3-methyl-(2S)-butanoate

SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C

InChI Key InChIKey=TUIZVTJDRXUKLY-MWLOVLLCSA-N

Data  2 KI

  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 2 hits for monomerid = 50009247   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50009247((S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-2-Amino...)
Affinity DataKi:  813nMAssay Description:Binding affinity to HIV-1 proteaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50009247((S)-2-[(S)-2-((3S,4S)-4-{(S)-2-[(S)-2-((S)-2-Amino...)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity for HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed