Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform A of Ketohexokinase (Peripheral)' and Ligand = 'BDBM494880'   

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
Isoform A of Ketohexokinase (Peripheral) (Homo sapiens (Human))	BDBM494880 (US10988463, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(c(C)c(n1)C12CNCC1C2CC(O)=O)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O3/c1-7-13(16-6-21-4-10(16)9(16)3-12(26)27)22-15(23-14(7)17(18,19)20)24-5-11(25)8(24)2/h8-11,21,25H,3-6H2,1-2H3,(H,26,27)/t8-,9?,10?,11+,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
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