Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50205389'   

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))	BDBM50205389 ((5-{2-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...) Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-17(23(30)24(20)31)14-4-3-5-15(12-14)25(32)26-19-7-2-1-6-18(19)21-11-8-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
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