BDBM581001 (4S,4′S,7S,7′S,9aS,9a′S)—N,N′-((1S,1′S)-(octane-1,8-diylbis(oxy))bis(1-phenylethane-2,1-diyl))bis(8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxooctahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide) dihydrochloride::US11492361, Example 58

SMILES C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@H](COCCCCCCCCOC[C@@H](NC(=O)[C@H]1N2[C@H](CC1(C)C)SCC[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C2=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=PUXOCCLSJDGDRV-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 = 581001   

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

US Patent
LigandPNGBDBM581001(US11492361, Example 58 | (4S,4′S,7S,7′...)
Affinity DataEC50:  4.5nMAssay 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
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