BDBM50050456 5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxymethyl-4-(2,3,4-trihydroxy-5-methoxy-hexyloxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-2,4-dihydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid::5-Acetylamino-2-{2-[2,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy}-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid::CHEMBL175649

SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key InChIKey=AIGVRILBLHNYIW-KGIFKBOWSA-N

Data  4 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 4 hits for monomerid = 50050456   

TargetP-selectin(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50050456(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibitory activity against human chimeric Selectin P-IgMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP-selectin(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50050456(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Affinity DataIC50: >1.00E+6nMAssay Description:Blocking activity on Selectin P ligand bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE-selectin(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50050456(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Affinity DataIC50:  2.40E+5nMAssay Description:Inhibitory activity against human chimeric E-selectin-IgMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-selectin(Homo sapiens (Human))
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50050456(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Affinity DataIC50:  2.20E+5nMAssay Description:Inhibitory activity against human chimeric L-selectin-IgMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed