BDBM50325322 1-allyl-1-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-(trifluoromethyl)benzyl)urea::CHEMBL1222772

SMILES O[C@@]1(CN(C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@@H](C2)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1cccc(F)c1

InChI Key

Data  1 IC50

  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 = 50325322   

TargetC-C chemokine receptor type 5(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50325322(1-allyl-1-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanec...)
Affinity DataIC50: 6.77nMAssay Description:Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed