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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50050458'   
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
E-selectin


(Homo sapiens (Human))		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[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
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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Similars
Article
PubMed
n/an/a 3.60E+5n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric E-selectin-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair