Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM130629'   

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))	BDBM130629 (US8822447, 112 | US9771375, Example 112) Show SMILES CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12 Show InChI InChI=1S/C20H24N4S/c1-25-20-18-8-7-16(22-14-15-9-11-21-12-10-15)13-19(18)24(23-20)17-5-3-2-4-6-17/h2-8,13,15,21-22H,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	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))	BDBM130629 (US8822447, 112 | US9771375, Example 112) Show SMILES CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12 Show InChI InChI=1S/C20H24N4S/c1-25-20-18-8-7-16(22-14-15-9-11-21-12-10-15)13-19(18)24(23-20)17-5-3-2-4-6-17/h2-8,13,15,21-22H,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	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