BDBM580972 (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-phenyl-N-[(1rs,4rs)-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-phenylacetamido]cyclohexyl]acetamide dihydrochloride::US11492361, Example 29

SMILES CN[C@@H](C)C(=S)N[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@H](C(=O)N[C@H]1CC[C@@H](CC1)NC(=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=IIQDIDSHUGVOSS-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 = 580972   

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

US Patent
LigandPNGBDBM580972(US11492361, Example 29 | (2S)-2-{[(4S,7S,9aS)-8,8-...)
Affinity DataEC50:  89.5nMAssay 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
US Patent