Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin glycoprotein ligand 1' and Ligand = 'BDBM50201903'   

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 glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50201903 (2-(4-chlorophenyl)-3-hydroxy-8-(4-hydroxymethylphe...) Show SMILES OCc1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H16ClNO4/c24-16-10-8-15(9-11-16)20-22(27)19(23(28)29)18-3-1-2-17(21(18)25-20)14-6-4-13(12-26)5-7-14/h1-11,26-27H,12H2,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of P-selectin-mediated adhesion of HL60 cells				J Med Chem 50: 21-39 (2007) Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV
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