BDBM50378599 CHEMBL603912

SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccc(F)cc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O

InChI Key: InChIKey=BJKGTVADODCRNZ-VPLWQFIYSA-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 = 50378599   

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)	BDBM50378599 (CHEMBL603912) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccc(F)cc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r| Show InChI InChI=1S/C25H28ClFN2O9/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-2-8-17(27)9-3-14)38-22(20)21(33)19(32)11-28-23(34)15-4-6-16(26)7-5-15/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36)/p-1/t18-,19+,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	1.30E+4	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