BDBM1033 Hydroxyethylene dipeptide isostere 25::N-[2(R)-Hydroxy-1(S)-indanyl]-5(S)-[[(1,1-dimethylethoxy)carbonyl]amino]-4(S)-hydroxy-6-phenyl-2(R)-[3-[4(morpholinoethoxy)phenyl]prop-2-en-1-yl] hexanamide::tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-[(2E)-3-{4-[2-(morpholin-4-yl)ethyl]phenyl}prop-2-en-1-yl]-1-phenylpentan-2-yl]carbamate

SMILES [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccc(CCN3CCOCC3)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12

InChI Key InChIKey=JRADSVKTKARKBE-PLZZJPMFSA-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 = 1033   

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

LigandPNGBDBM1033(Hydroxyethylene dipeptide isostere 25 | N-[2(R)-Hy...)
Affinity DataIC50:  0.290nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed