Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 323.3 BDBM342509

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))	BDBM342509 (3-Ethyl-1-phenyl-6-piperidin-4-yl-1H-pyrazolo[3,4-...) Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCNCC1 Show InChI InChI=1S/C18H21N5O/c1-2-14-15-17(23(22-14)13-6-4-3-5-7-13)20-16(21-18(15)24)12-8-10-19-11-9-12/h3-7,12,19H,2,8-11H2,1H3,(H,20,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+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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