BDBM50006828 2-(2-{[1-(3-{2-[2-(2-Amino-3-hydroxy-propionylamino)-4-methyl-pentanoylamino]-3-carbamoyl-propionylamino}-2-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoylamino)-3-methyl-butyric acid methyl ester::CHEMBL2369944

SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI Key InChIKey=MUEGWYUBGOOONU-LAXGWMOXSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006828   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006828(2-(2-{[1-(3-{2-[2-(2-Amino-3-hydroxy-propionylamin...)
Affinity DataKi:  0.240nMAssay Description:Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed