BDBM50214504 CHEMBL3215420

SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H]-1-[#8]-[#6@@H](-[#6]-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H]-1-[#7]-[#6](-[#6])=O

InChI Key InChIKey=UVRZCJQXSUPCOQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50214504   

TargetP-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214504(CHEMBL3215420)
Affinity DataIC50: 2.60E+4nMAssay Description:Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214504(CHEMBL3215420)
Affinity DataIC50: 1.00E+6nMAssay Description:Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article