BDBM50281648 CHEMBL166640::[(S)-1-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-{(S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1

InChI Key InChIKey=JEMNPQLEUQPAEE-UHFFFAOYSA-N

Data  1 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 = 50281648   

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

Curated by ChEMBL
LigandPNGBDBM50281648([(S)-1-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-...)
Affinity DataKi:  10nMAssay Description:Evaluated for inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
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