BDBM50274296 CHEMBL501599::p-Methoxyphenyl (3,5,9-trideoxy-5-glycolamido-9-(4'-hydroxy-4-biphenyl)-acetamido-D-glycero-alpha-D-galacto-2-nonulopyranosylonicacid)-(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)CNC(=O)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=OTRZIYCZOYEUAW-ZSGSMGMISA-N

Data: 5 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 5 hits for monomerid = 50274296   

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
CD22 (Homo sapiens (Human))	BDBM50274296 (CHEMBL501599 | 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)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/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	900	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
B-cell receptor CD22 (Mus musculus)	BDBM50274296 (CHEMBL501599 | 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)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Antagonist activity at mouse CD22 after 1 hr by competitive ELISA				Bioorg Med Chem 19: 1966-71 (2011) Article DOI: 10.1016/j.bmc.2011.01.060 BindingDB Entry DOI: 10.7270/Q2QZ2B7T
					More data for this Ligand-Target Pair
B-cell receptor CD22 (Mus musculus)	BDBM50274296 (CHEMBL501599 | 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)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Binding affinity to mouse CD22 after 1 hr by competition ELISA				Bioorg Med Chem Lett 19: 5573-5 (2009) Article DOI: 10.1016/j.bmcl.2009.08.044 BindingDB Entry DOI: 10.7270/Q2TH8NP3
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50274296 (CHEMBL501599 | 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)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human MAG after 1 hr by competitive ELISA				Bioorg Med Chem 19: 1966-71 (2011) Article DOI: 10.1016/j.bmc.2011.01.060 BindingDB Entry DOI: 10.7270/Q2QZ2B7T
					More data for this Ligand-Target Pair
CD22 (Homo sapiens (Human))	BDBM50274296 (CHEMBL501599 | 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)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/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	900	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Antagonist activity at human CD22 after 1 hr by competitive ELISA				Bioorg Med Chem 19: 1966-71 (2011) Article DOI: 10.1016/j.bmc.2011.01.060 BindingDB Entry DOI: 10.7270/Q2QZ2B7T
					More data for this Ligand-Target Pair