Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.3 BDBM254007

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))	BDBM254007 (((S)-4-(4-Methyl-1H-pyrazol-1-yl)-2-oxo-6-(4-(4,4,...) Show SMILES Cc1cnn(c1)C1=C(C#N)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:7| Show InChI InChI=1S/C21H18F6N4O2/c1-13-11-29-31(12-13)17-9-19(21(25,26)27,30-18(32)16(17)10-28)14-3-5-15(6-4-14)33-8-2-7-20(22,23)24/h3-6,11-12H,2,7-9H2,1H3,(H,30,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	522	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 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) BindingDB Entry DOI: 10.7270/Q2DV1MXW
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