BDBM314794 (3aR,5S,6S,7R,7aR)-2- (methylamino)-5-((R)-2,2,2- trifluoro-1-(4-(2- fluoroethyl)benzyloxy)ethyl)- 5,6,7,7a-tetrahydro-3aH- pyrano[3,2-d]thiazole-6,7-diol::US9611275, Example 87

SMILES: CNC1=N[C@H]2[C@H](O[C@H]([C@@H](OCc3ccc(CCF)cc3)C(F)(F)F)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=JPFSNQGMODMDSE-OWDFPOFWSA-N

Data: 1 KI

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 = 314794   

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
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM314794 ((3aR,5S,6S,7R,7aR)-2- (methylamino)-5-((R)-2,2,2- ...) Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](OCc3ccc(CCF)cc3)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 |t:2| Show InChI InChI=1S/C18H22F4N2O4S/c1-23-17-24-11-12(25)13(26)14(28-16(11)29-17)15(18(20,21)22)27-8-10-4-2-9(3-5-10)6-7-19/h2-5,11-16,25-26H,6-8H2,1H3,(H,23,24)/t11-,12-,13+,14+,15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALECTOS THERAPEUTICS, INC.; MERCK SHARP & DOHME CORP. US Patent					Assay Description Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...				US Patent US9611275 (2017) BindingDB Entry DOI: 10.7270/Q2833V4D
					More data for this Ligand-Target Pair