Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B-cell receptor CD22' and Ligand = 'BDBM50274282'   

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
B-cell receptor CD22 (Homo sapiens (Human))	BDBM50274282 (CHEMBL467951 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...) Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccc4ccccc4c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C35H42N2O16/c1-49-20-8-10-21(11-9-20)51-33-30(45)29(44)28(43)24(52-33)16-50-35(34(47)48)13-22(39)26(37-25(41)15-38)31(53-35)27(42)23(40)14-36-32(46)19-7-6-17-4-2-3-5-18(17)12-19/h2-12,22-24,26-31,33,38-40,42-45H,13-16H2,1H3,(H,36,46)(H,37,41)(H,47,48)/t22-,23+,24+,26+,27+,28-,29-,30+,31+,33+,35+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry				J Med Chem 51: 6665-81 (2008) Article DOI: 10.1021/jm8000696 BindingDB Entry DOI: 10.7270/Q23X86GN
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