Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50168308'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P-selectin (Homo sapiens (Human))	BDBM50168308 (((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)| Show InChI InChI=1S/C9H15NO7/c11-4-1-9(17,2-5(12)7(4)15)8(16)10-3-6(13)14/h4-5,7,11-12,15,17H,1-3H2,(H,10,16)(H,13,14)/t4-,5-,7-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/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
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