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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50168309'   
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
P-selectin


(Homo sapiens (Human))		BDBM50168309
PNG
(6-[((R)-(R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(4.45,-3.24,;5.8,-2.45,;5.8,-.91,;7.12,-.14,;8.46,.63,;8.46,-.91,;8.46,-2.45,;9.8,-3.24,;7.12,-3.22,;7.12,-4.76,;5.78,.63,;5.78,2.16,;4.45,-.14,;3.13,.63,;1.79,-.14,;.45,.63,;-.88,-.14,;-2.2,.63,;-3.53,-.14,;-4.87,.63,;-3.53,-1.68,)|
Show InChI InChI=1S/C13H23NO7/c15-8-6-13(21,7-9(16)11(8)19)12(20)14-5-3-1-2-4-10(17)18/h8-9,11,15-16,19,21H,1-7H2,(H,14,20)(H,17,18)/t8-,9-,11-,13+/m1/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 P

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