Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4 BDBM342503

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
Ketohexokinase (Homo sapiens (Human))	BDBM342503 (6-(1-Azetidin-3-yl-piperidin-3-yl)-3-methyl-1-phen...) Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCCN(C1)C1CNC1 Show InChI InChI=1S/C20H24N6O/c1-13-17-19(26(24-13)15-7-3-2-4-8-15)22-18(23-20(17)27)14-6-5-9-25(12-14)16-10-21-11-16/h2-4,7-8,14,16,21H,5-6,9-12H2,1H3,(H,22,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...				US Patent US9771375 (2017) BindingDB Entry DOI: 10.7270/Q20R9RJW
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