Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM130652'   

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))	BDBM130652 (US8822447, 158 | US9771375, Example 158) Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(C)CCNCC3)ccc12 Show InChI InChI=1S/C21H24N4OS/c1-21(10-12-22-13-11-21)20(26)23-15-8-9-17-18(14-15)25(24-19(17)27-2)16-6-4-3-5-7-16/h3-9,14,22H,10-13H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	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
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM130652 (US8822447, 158 | US9771375, Example 158) Show SMILES CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(C)CCNCC3)ccc12 Show InChI InChI=1S/C21H24N4OS/c1-21(10-12-22-13-11-21)20(26)23-15-8-9-17-18(14-15)25(24-19(17)27-2)16-6-4-3-5-7-16/h3-9,14,22H,10-13H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	25
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 US8822447 (2014) BindingDB Entry DOI: 10.7270/Q2M0443Q
					More data for this Ligand-Target Pair