Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494907'   

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))	BDBM494907 (US10988463, Example 37 | {(1R,5S,6s)-3-[5-cyano-4-...) Show SMILES OC(=O)CC1C2CN(CC12)c1cc(C(F)F)c(C#N)c(n1)N1CCCC1 Show InChI InChI=1S/C18H20F2N4O2/c19-17(20)11-5-15(22-18(12(11)7-21)23-3-1-2-4-23)24-8-13-10(6-16(25)26)14(13)9-24/h5,10,13-14,17H,1-4,6,8-9H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.3	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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