Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50422294'   

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))	BDBM50422294 (CHEMBL2303889) Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-12-10-29(19-33(35)31-8-2-6-27(17-31)21-39(51)52)15-25-4-1-5-26(14-25)16-30-11-13-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-9-3-7-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/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	2.25E+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
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