Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.4 BDBM130614

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))	BDBM130614 (US8822447, 94) Show SMILES CCc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C1CCN(CC1)C1CCNC1 Show InChI InChI=1S/C22H28N6O/c1-2-18-19-21(28(26-18)16-6-4-3-5-7-16)24-20(25-22(19)29)15-9-12-27(13-10-15)17-8-11-23-14-17/h3-7,15,17,23H,2,8-14H2,1H3,(H,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.27E+3	n/a	n/a	n/a	n/a	n/a	25
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 US8822447 (2014) BindingDB Entry DOI: 10.7270/Q2M0443Q
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