BDBM580956 (4S,4′S,7S,7′S,9aS,9a′S)—N,N′-((1S,1′S,2R,2′R)-(hexa-2,4-diyne-1,6-diylbis(oxy))bis(2,3-dihydro-1H-indene-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 13::US11492361, Example 14

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)OCC#CC#CCO[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=QYUQEIDUJNTYDQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 580956   

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

US Patent
LigandPNGBDBM580956(US11492361, Example 13 | (4S,4′S,7S,7′...)
Affinity DataEC50:  9.30nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM580956(US11492361, Example 13 | (4S,4′S,7S,7′...)
Affinity DataEC50:  8.40nMAssay 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
Go to US Patent