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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50168304'   
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))		BDBM50168304
PNG
(2-[((3R,5R)-1,3,5-Trihydroxy-4-(S)-hydroxy-cyclohe...)
Show SMILES C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)|
Show InChI InChI=1S/C10H17NO7/c1-4(8(15)16)11-9(17)10(18)2-5(12)7(14)6(13)3-10/h4-7,12-14,18H,2-3H2,1H3,(H,11,17)(H,15,16)/t4-,5+,6+,7-,10+/m0/s1
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Article
PubMed
n/an/a>5.00E+7n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of HL-60 cell adhesion to recombinant human Selectin E

Bioorg Med Chem Lett 15: 3224-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.004
BindingDB Entry DOI: 10.7270/Q23N22WB
More data for this
Ligand-Target Pair