Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50422284'   

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))	BDBM50422284 (CHEMBL2303890) Show SMILES OCC1O[C@H](Oc2ccc(CCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C45H52O16/c46-22-34-38(52)40(54)42(56)44(60-34)58-32-14-12-24(18-30(32)28-10-4-8-26(16-28)20-36(48)49)6-2-1-3-7-25-13-15-33(59-45-43(57)41(55)39(53)35(23-47)61-45)31(19-25)29-11-5-9-27(17-29)21-37(50)51/h4-5,8-19,34-35,38-47,52-57H,1-3,6-7,20-23H2,(H,48,49)(H,50,51)/t34-,35?,38-,39-,40-,41-,42+,43+,44+,45+/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	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins				J Med Chem 41: 1099-111 (1998) Article DOI: 10.1021/jm9704917 BindingDB Entry DOI: 10.7270/Q2BP03G4
					More data for this Ligand-Target Pair