BDBM50274297 CHEMBL444923::p-Methoxyphenyl (9-benzylamino-3,5,9-trideoxy-5-glycolamido-D-glycero-alpha-D-galacto-2-nonulopyranosylonic acid)-(2->6)-beta-D-galactopyranoside

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)CNCc3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=URUBRAORLIRCJJ-VFZUFKCMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50274297   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50274297 (CHEMBL444923 | p-Methoxyphenyl (9-benzylamino-3,5,...) 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)CNCc3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C31H42N2O15/c1-44-17-7-9-18(10-8-17)46-29-27(41)26(40)25(39)21(47-29)15-45-31(30(42)43)11-19(35)23(33-22(37)14-34)28(48-31)24(38)20(36)13-32-12-16-5-3-2-4-6-16/h2-10,19-21,23-29,32,34-36,38-41H,11-15H2,1H3,(H,33,37)(H,42,43)/t19-,20+,21+,23+,24+,25-,26-,27+,28+,29+,31+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	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