BDBM580988 (4S,7S,9aS)—N-[(1R,2R)-2-({[4-({[(1R,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]formamido}methyl)phenyl]methyl}carbamoyl)-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 45

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]1[C@@H](Cc2ccccc12)C(=O)NCc1ccc(CNC(=O)[C@@H]2Cc3ccccc3[C@@H]2NC(=O)[C@H]2N3[C@H](CC2(C)C)SCC[C@H](NC(=O)[C@H](C)NC)C3=O)cc1

InChI Key InChIKey=SHONCRNHDAPIPS-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 = 580988   

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

US Patent
LigandPNGBDBM580988(US11492361, Example 45 | (4S,7S,9aS)—N-[(1R,2...)
Affinity DataEC50:  183nMAssay 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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