Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 740.7 BDBM50274287

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50274287 (CHEMBL499744 | 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)CCc3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C33H44N2O17/c1-48-18-7-9-19(10-8-18)50-31-29(45)28(44)27(43)22(51-31)15-49-33(32(46)47)12-20(38)25(35-24(41)14-36)30(52-33)26(42)21(39)13-34-23(40)11-4-16-2-5-17(37)6-3-16/h2-3,5-10,20-22,25-31,36-39,42-45H,4,11-15H2,1H3,(H,34,40)(H,35,41)(H,46,47)/t20-,21+,22+,25+,26+,27-,28-,29+,30+,31+,33+/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	7.65E+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
					More data for this Ligand-Target Pair