BDBM580991 (4S,7S,9aS)-N-[(1S,2R)-2-[(8-{[(1S,2R)-1-[(4S,7S,9aS)-8,8-dimethyl-4-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydropyrrolo[2,1-b][1,3]thiazepine-7-amido]-2,3-dihydro-1H-inden-2-yl]oxy}octyl)oxy]-2,3-dihydro-1H-inden-1-yl]-8,8-dimethyl-4-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide::US11492361, Example 48

SMILES CN[C@@H](C)C(=O)C[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1N2[C@H](CC1(C)C)SCC[C@H](NC(=O)[C@H](C)NC)C2=O

InChI Key InChIKey=IJGAYRPGDXJACW-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 = 580991   

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

US Patent
LigandPNGBDBM580991(US11492361, Example 48 | (4S,7S,9aS)-N-[(1S,2R)-2-...)
Affinity DataEC50:  11.6nMAssay 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
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Date in BDB:
1/31/2023
Entry Details
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