BDBM50093807 (S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,3-dicarboxy-propylcarbamoyl)-4-hydroxy-phenyl]-4-[(3S,10S,13R,17R)-17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-2-hydroxy-benzoylamino)-pentanedioic acid::2-(3-Chloro-5-{1-[3-chloro-5-(1,3-dicarboxy-propylcarbamoyl)-4-hydroxy-phenyl]-4-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-2-hydroxy-benzoylamino)-pentanedioic acid::2-(3-chloro-5-{1-[3-chloro-5-(1,3-dicarboxypropylcarbamoyl)-4-hydroxyphenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-2-hydroxyphenylcarboxamido)pentanedioic acid::CHEMBL410813

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])c(c5)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-c5cc(Cl)c(-[#8])c(c5)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6]

InChI Key InChIKey=UIOSTHFSUZMXHV-OELDDPMISA-N

Data  1 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 1 hit for monomerid = 50093807   

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

Curated by ChEMBL
LigandPNGBDBM50093807((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,3-dicarbox...)
Affinity DataEC50:  6.96E+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