BDBM50093808 (5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-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}-3-chloro-2-hydroxy-benzoylamino)-acetic acid::(5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-4-hydroxy-phenyl]-4-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-3-chloro-2-hydroxy-benzoylamino)-acetic acid::5-{1-[3-carboxylato-4-(3-carboxy-2-methoxybenzyloxy)-5-chlorophenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-2-(3-carboxy-2-methoxybenzyloxy)-3-chlorobenzoate::CHEMBL83315

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

InChI Key InChIKey=BIGCFRKTVFGWBA-QEMXKSKQSA-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 = 50093808   

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

Curated by ChEMBL
LigandPNGBDBM50093808((5-{1-[3-(Carboxymethyl-carbamoyl)-5-chloro-4-hydr...)
Affinity DataEC50: >1.25E+5nMAssay 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