Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isoform A of Ketohexokinase (Peripheral)' and Ligand = 'BDBM319586'   

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))	BDBM319586 (US10174007, Example 5 | US10787438, Example 5 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-7-11(24)6-23(7)15-20-12(16(17,18)19)3-13(21-15)22-4-9-8(2-14(25)26)10(9)5-22/h3,7-11,24H,2,4-6H2,1H3,(H,25,26)/t7-,8-,9-,10+,11+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95.5	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
					More data for this Ligand-Target Pair
Isoform A of Ketohexokinase (Peripheral) (Homo sapiens (Human))	BDBM319586 (US10174007, Example 5 | US10787438, Example 5 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-7-11(24)6-23(7)15-20-12(16(17,18)19)3-13(21-15)22-4-9-8(2-14(25)26)10(9)5-22/h3,7-11,24H,2,4-6H2,1H3,(H,25,26)/t7-,8-,9-,10+,11+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95.5	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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					More data for this Ligand-Target Pair