Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM319587'   

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))	BDBM319587 (US10174007, Example 6 | US10988463, Example 6 | US...) Show SMILES OC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)C1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)12-5-13(21-15(20-12)8-2-1-3-8)22-6-10-9(4-14(23)24)11(10)7-22/h5,8-11H,1-4,6-7H2,(H,23,24)/t9-,10-,11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description 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 prepared in DM...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319587 (US10174007, Example 6 | US10988463, Example 6 | US...) Show SMILES OC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)C1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)12-5-13(21-15(20-12)8-2-1-3-8)22-6-10-9(4-14(23)24)11(10)7-22/h5,8-11H,1-4,6-7H2,(H,23,24)/t9-,10-,11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2B2807K
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319587 (US10174007, Example 6 | US10988463, Example 6 | US...) Show SMILES OC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)C1CCC1)C(F)(F)F |r| Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)12-5-13(21-15(20-12)8-2-1-3-8)22-6-10-9(4-14(23)24)11(10)7-22/h5,8-11H,1-4,6-7H2,(H,23,24)/t9-,10-,11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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
					More data for this Ligand-Target Pair