BDBM372394 Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((3,3-dicyclopropylallyl)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 2-6

SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6][C@@]2([#6]-[#6][C@]3([#6])[#6@H](-[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]=[#6](-[#6]-6=[#6]-[#6][C@@]([#6]F)([#6]-[#6]-6)[#6](-[#8])=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]34[#6])-[#6@@H]-12)[#7]-[#6]\[#6]=[#6](/[#6]-1-[#6]-[#6]1)-[#6]-1-[#6]-[#6]-1

InChI Key InChIKey=BIBBEJVQUSJHOJ-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 372394   

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

US Patent
LigandPNGBDBM372394(US10245275, Example 2-6 | Preparation of (S)-4-((1...)
Affinity DataEC50:  11nMAssay 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
LigandPNGBDBM372394(US10245275, Example 2-6 | Preparation of (S)-4-((1...)
Affinity DataEC50:  3.00E+3nMAssay 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