BDBM372415 Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(4-acetyl-3,3-dimethyl-2-oxopiperazin-1-yl)ethyl)amino)-5a,5b, 8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-enecarboxylic acid::US10245275, Example 2-27

SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCN(C(C)=O)C(C)(C)C1=O

InChI Key InChIKey=SILHMDIOXXTFJQ-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 372415   

TargetGag-Pol polyprotein(HIV-1)
Viiv Healthcare UK (No. 4)

US Patent
LigandPNGBDBM372415(US10245275, Example 2-27 | Preparation of (S)-4-((...)
Affinity DataEC50:  5.77nMAssay Description:MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2019
Entry Details
Go to US Patent

TargetGag-Pol polyprotein [A364V](HIV-1)
Viiv Healthcare UK (No. 4)

US Patent
LigandPNGBDBM372415(US10245275, Example 2-27 | Preparation of (S)-4-((...)
Affinity DataEC50:  20.1nMAssay Description:MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2019
Entry Details
Go to US Patent