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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Selectin E' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50072069
PNG
(CHEMBL384874 | Sialyl Lewis X analogue)
Show SMILES CCOCCOCCOCCOCCOCCOC1OC(CO)C(OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=O
Show InChI InChI=1S/C43H76N2O28/c1-5-61-6-7-62-8-9-63-10-11-64-12-13-65-14-15-66-39-28(45-22(4)50)37(71-40-33(57)32(56)29(53)20(2)67-40)35(26(19-48)69-39)70-41-34(58)38(31(55)25(18-47)68-41)73-43(42(59)60)16-23(51)27(44-21(3)49)36(72-43)30(54)24(52)17-46/h20,23-41,46-48,51-58H,5-19H2,1-4H3,(H,44,49)(H,45,50)(H,59,60)/t20?,23?,24-,25?,26?,27?,28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43?/m1/s1
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PC cid
PC sid
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Similars

AffyNet 
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Drug Delivery System Institute, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Selectin E expressed at the inflammatory lesion was measured by inhibition of leukocyte rolling in the inflammatory ...


Bioorg Med Chem Lett 8: 2783-6 (1999)

More data for this
Ligand-Target Pair