Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.6 BDBM50389316

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))	BDBM50389316 (CHEMBL2063921) Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1C2CCC1CC(N)C2 Show InChI InChI=1S/C24H30N8S/c1-33-19-5-3-2-4-18(19)29-23-20-21(22(28-13-27-20)26-12-14-6-7-14)30-24(31-23)32-16-8-9-17(32)11-15(25)10-16/h2-5,13-17H,6-12,25H2,1H3,(H,26,27,28)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson Curated by ChEMBL					Assay Description Inhibition of recombinant human hepatic KHKC				Bioorg Med Chem Lett 22: 5326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.008 BindingDB Entry DOI: 10.7270/Q21J9BV6
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