BDBM50077218 2-(2-carboxybenzyloxy)-5-{1-[3-carboxy-4-(2-carboxybenzyloxy)-5-chlorophenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-3-chlorobenzoic acid::3'',3'''-Dichloro-4'',4'''-bis(o-carboxybenzyloxy)-5'',5'''-dicarboxy-4',4'-diphenyl-3beta-[1-(3'-butenyl)]cholestane::CHEMBL411984::Cosalane analogue

SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6@H]1-[#6]-[#6]-[#6]2-[#6]-3-[#6]-[#6]-[#6]4-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c5cc(Cl)c(-[#8]-[#6]-c6ccccc6-[#6](-[#8])=O)c(c5)-[#6](-[#8])=O)-c5cc(Cl)c(-[#8]-[#6]-c6ccccc6-[#6](-[#8])=O)c(c5)-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6]

InChI Key InChIKey=YDXHIPXDBPQHEV-FTDLHEAMSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077218   

TargetT-cell surface glycoprotein CD4(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50077218(2-(2-carboxybenzyloxy)-5-{1-[3-carboxy-4-(2-carbox...)
Affinity DataEC50: >3.70E+4nMAssay Description:In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed