BDBM50214503 CHEMBL3215418

SMILES [#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#16])\[#7]=[#6]-3/[#6]=[#6]\[#6](\[#6](=[#6]-3)-[#6](-[#8])=O)=[#6]-3/c4ccc(-[#8])cc4-[#8]-c4cc(-[#8])ccc-34)-[#8]-[#6@@H](-[#6]-[#8])-[#6@H]-2-[#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](-[#8])-[#6@@H]-1-[#8]

InChI Key InChIKey=UVNUBBRBKXEZBQ-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 = 50214503   

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214503(CHEMBL3215418)
Affinity DataIC50: 6.50E+5nMAssay 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

TargetP-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50214503(CHEMBL3215418)
Affinity DataIC50: 9.00E+5nMAssay 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