Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494913'   

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))	BDBM494913 (US10988463, Example 46 | {(1R,5S,6s)-3-[6-(azetidi...) Show SMILES OC(=O)CC1C2CN(CC12)c1cc(c(C#N)c(n1)N1CCC1)C(F)(F)F Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)13-5-14(22-16(10(13)6-21)23-2-1-3-23)24-7-11-9(4-15(25)26)12(11)8-24/h5,9,11-12H,1-4,7-8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.5	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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