BDBM580995 (4S,7S,9aS)-N-[(1S)-2-[2-(4-{[(2S)-2-{[(4S,7S,9aS)-8,8-dimethyl-4-[(2S)-2-(methylamino)propanethioamido]-5-oxo-octahydropyrrolo[2,1-b][1,3]thiazepin-7-yl]formamido}-2-phenylethoxy]methyl}-1H-1,2,3-triazol-1-yl)ethoxy]-1-phenylethyl]-8,8-dimethyl-4-[(2S)-2-(methylamino)propanethioamido]-5-oxo-octahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide::US11492361, Example 52

SMILES CN[C@@H](C)C(=S)N[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1)C(=O)N[C@H](COCc1cn(CCOC[C@@H](NC(=O)[C@H]2N3[C@H](CC2(C)C)SCC[C@H](NC(=S)[C@H](C)NC)C3=O)c2ccccc2)nn1)c1ccccc1

InChI Key InChIKey=FQJPGFUNDCDXSO-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 = 580995   

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

US Patent
LigandPNGBDBM580995(US11492361, Example 52 | (4S,7S,9aS)-N-[(1S)-2-[2-...)
Affinity DataEC50:  243nMAssay 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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