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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Selectin E' and Ligand = 'BDBM50105196'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Selectin E


(Homo sapiens (Human))
BDBM50105196
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES COCCOCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C20H22N2O5S/c1-24-6-7-25-8-9-26-13-14-2-4-15(5-3-14)27-17-11-22-12-19-16(17)10-18(28-19)20(21)23/h2-5,10-12H,6-9,13H2,1H3,(H2,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of selectin E in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair