Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM50389313'   

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))	BDBM50389313 (CHEMBL2063918) Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC[C@@H]2CNC[C@H]12 |r| Show InChI InChI=1S/C24H30N8S/c1-33-19-7-3-2-6-17(19)29-23-20-21(22(28-14-27-20)26-11-15-8-9-15)30-24(31-23)32-10-4-5-16-12-25-13-18(16)32/h2-3,6-7,14-16,18,25H,4-5,8-13H2,1H3,(H,26,27,28)(H,29,30,31)/t16-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	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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