BDBM580974 (4S,7S,9aS)—N—((S)-2-((6-((S)-2-((4S,7S,9aS)-8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxooctahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamido)-2-phenylacetamido)hexa-2,4-diyn-1-yl)amino)-2-oxo-1-phenylethyl)-8,8-dimethyl-4-((S)-2-(methylamino)propanethioamido)-5-oxooctahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide dihydrochloride::US11492361, Example 31

SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCC#CC#CCNC(=O)[C@@H](NC(=O)[C@H]1N2[C@H](CC1(C)C)SCC[C@H](NC(=S)[C@H](C)NC)C2=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=DZUKMGORWRSTJA-UHFFFAOYSA-N

Data  1 EC50

  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 = 580974   

TargetGag-Pol polyprotein(HIV-1)
Glaxosmithkline Intellectual Property Development

US Patent
LigandPNGBDBM580974(US11492361, Example 31 | (4S,7S,9aS)—N—(...)
Affinity DataEC50:  25.8nMAssay Description:Jurkat HIV-luciferase clones were maintained in RPMI medium 1640 (Gibco by Life Technologies) containing 10% (vol/vol) fetal bovine serum (SAFC/Sigma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/31/2023
Entry Details
US Patent