Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM50380263'   

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))	BDBM50380263 (CHEMBL2017230) Show SMILES Cc1ccccc1Nc1nc(nc2c(NC3CCCCC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C23H30N8/c1-16-7-5-6-10-18(16)28-22-19-20(29-23(30-22)31-13-11-24-12-14-31)21(26-15-25-19)27-17-8-3-2-4-9-17/h5-7,10,15,17,24H,2-4,8-9,11-14H2,1H3,(H,25,26,27)(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...				ACS Med Chem Lett 2: 538-543 (2011) Article DOI: 10.1021/ml200070g BindingDB Entry DOI: 10.7270/Q2NZ88N1
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