BDBM50078087 (S)-6-[2-(4-Amino-phenyl)-ethyl]-3-(2-tert-butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-5,6-dihydro-pyran-2-one::6-[2-(4-Amino-phenyl)-ethyl]-3-(2-tert-butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-5,6-dihydro-pyran-2-one::CHEMBL285759::CI-1029

SMILES CC(C)[C@]1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1

InChI Key InChIKey=YDZPKVMVMXBCHP-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50078087   

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

Curated by ChEMBL
LigandPNGBDBM50078087(CI-1029 | (S)-6-[2-(4-Amino-phenyl)-ethyl]-3-(2-te...)
Affinity DataIC50: 0.110nMAssay Description:HIV-1 protease inhibition.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50078087(CI-1029 | (S)-6-[2-(4-Amino-phenyl)-ethyl]-3-(2-te...)
Affinity DataKi:  0.110nMpH: 6.2Assay Description:In vitro binding affinity against HIV protease at pH 6.2 was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed