Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.4 BDBM201343

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201343 (US9187424, 107) Show SMILES CCCCOc1ccc(cc1)C1(C)CC(=C(C#N)C(=O)N1)c1ccc(C)cc1 |t:15| Show InChI InChI=1S/C24H26N2O2/c1-4-5-14-28-20-12-10-19(11-13-20)24(3)15-21(22(16-25)23(27)26-24)18-8-6-17(2)7-9-18/h6-13H,4-5,14-15H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
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