BDBM50120316 CHEMBL2367887::Triterpene Glycoside analogue

SMILES CO[C@H]1[C@H](O)[C@@H](CO)OC(O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)C(CCC6C5=C[C@H](O)C57C(CC[C@@]65C)[C@](C)(CCCC(C)C)OC7=O)C4(C)C)[C@H](O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)C(OC6O[C@H](CO)[C@@H](O)C(OC)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H]2O)[C@@H]1O

InChI Key InChIKey=QJXYVWRUWRZFBA-MUMMOCLCSA-N

Data  1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120316   

TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50120316(CHEMBL2367887 | Triterpene Glycoside analogue)
Affinity DataKi:  5.10E+3nMAssay Description:Inhibitory activity of the compound against human CCR5 chemokine receptor (CCR5) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed