Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494890'   

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))	BDBM494890 (US10988463, Example 19 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1CCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C18H20F2N4O2/c1-9-2-3-24(9)18-12(6-21)11(17(19)20)4-15(22-18)23-7-13-10(5-16(25)26)14(13)8-23/h4,9-10,13-14,17H,2-3,5,7-8H2,1H3,(H,25,26)/t9-,10?,13?,14?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
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