BDBM50378600 CHEMBL590978

SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2c(F)c(F)c(F)c(F)c2F)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O

InChI Key: InChIKey=KATKKZCERNJLGQ-KDPWVYDWSA-M

Data: 1 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 1 hit for monomerid = 50378600   

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)	BDBM50378600 (CHEMBL590978) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2c(F)c(F)c(F)c(F)c2F)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r| Show InChI InChI=1S/C25H24ClF5N2O9/c1-9(34)33-20-13(35)6-25(24(39)40,41-8-12-15(27)17(29)19(31)18(30)16(12)28)42-22(20)21(37)14(36)7-32-23(38)10-2-4-11(26)5-3-10/h2-5,13-14,20-22,35-37H,6-8H2,1H3,(H,32,38)(H,33,34)(H,39,40)/p-1/t13-,14-,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	6.10E+3	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