BDBM50327099 CHEMBL1253679::sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4-chlorobenzamido)-1,2-dihydroxypropyl)-2-(2,3-difluorobenzyloxy)-5-(2-fluoroacetamido)-4-hydroxytetrahydro-2H-pyran-2-carboxylate

SMILES: O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O

InChI Key: InChIKey=PHAQIXWCWMOVOP-XJQROWKISA-M

Data: 2 Kd

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 2 hits for monomerid = 50327099   

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
Myelin-associated glycoprotein (Mus musculus)	BDBM50327099 (CHEMBL1253679 | sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4...) Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O |r| Show InChI InChI=1S/C25H26ClF3N2O9/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38)/p-1/t16-,17+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis				J Med Chem 53: 1597-615 (2010) Article DOI: 10.1021/jm901517k BindingDB Entry DOI: 10.7270/Q2V69KHM
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Mus musculus)	BDBM50327099 (CHEMBL1253679 | sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4...) Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O |r| Show InChI InChI=1S/C25H26ClF3N2O9/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38)/p-1/t16-,17+,20+,21+,22+,25+/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance				Bioorg Med Chem 18: 7239-51 (2010) Article DOI: 10.1016/j.bmc.2010.08.027 BindingDB Entry DOI: 10.7270/Q2CV4J0S
					More data for this Ligand-Target Pair