Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4 BDBM342506

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))	BDBM342506 (3-Methyl-1-phenyl-6-(1-pyrrolidin-3-yl-piperidin-4...) Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNC1 Show InChI InChI=1S/C21H26N6O/c1-14-18-20(27(25-14)16-5-3-2-4-6-16)23-19(24-21(18)28)15-8-11-26(12-9-15)17-7-10-22-13-17/h2-6,15,17,22H,7-13H2,1H3,(H,23,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+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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