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BDBM50030250 CHEMBL116203::pentasaccharide (arabinose)

SMILES: CCOC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4(CC(O)C(NC(C)=O)C(O4)[C@H](O)[C@H](O)CO)C(=O)ON)C3O)C(OC3OCC(O)C(O)C3O)C2NC(C)=O)C1O

InChI Key: InChIKey=VFKYKTAIOKDKRY-GNEDFITKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030250   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Selectin E


(Homo sapiens (Human))		BDBM50030250
PNG
(CHEMBL116203 | pentasaccharide (arabinose))
Show SMILES CCOC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4(CC(O)C(NC(C)=O)C(O4)[C@H](O)[C@H](O)CO)C(=O)ON)C3O)C(OC3OCC(O)C(O)C3O)C2NC(C)=O)C1O
Show InChI InChI=1S/C38H65N3O28/c1-4-59-35-26(56)31(23(53)16(7-43)61-35)66-33-20(41-12(3)47)30(65-34-25(55)21(51)15(50)10-60-34)28(18(9-45)63-33)64-36-27(57)32(24(54)17(8-44)62-36)68-38(37(58)69-39)5-13(48)19(40-11(2)46)29(67-38)22(52)14(49)6-42/h13-36,42-45,48-57H,4-10,39H2,1-3H3,(H,40,46)(H,41,47)/t13?,14-,15?,16?,17?,18?,19?,20?,21?,22-,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,38?/m1/s1
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Similars
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Tested for inhibition of cell adhesion of HL-60 containing SLeX to purified recombinant human E-selectin

J Med Chem 37: 3459-63 (1994)


BindingDB Entry DOI: 10.7270/Q2862FGK
More data for this
Ligand-Target Pair