BDBM50077214 2-(3-carboxylatobenzyloxy)-5-{1-[3-carboxylato-4-(3-carboxylatobenzyloxy)-5-chlorophenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-3-chlorobenzoate::3'',3'''-Dichloro-4'',4'''-bis(o-carboxybenzyloxy)-5'',5'''-dicarboxy-4',4'-diphenyl-3beta-[1-(3'-butenyl)]cholestane Tetrasodium salt::CHEMBL3138130

SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6][#6]=[#6](c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6]

InChI Key InChIKey=HRMUYLWUAOXJHR-UHFFFAOYSA-J

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077214   

TargetC-C chemokine receptor type 1(Human)
National Cancer Istitute-Frederick Cancer Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50077214(3'',3'''-Dichloro-4'',4'''-bis(o-carboxybenzyloxy)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectantsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed