null

SMILES: COC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)N1CC[C@@H]1C)C(F)(F)F

InChI Key: InChIKey=QVTAJQPFFRLSHX-FIQHERPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 319584   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ketohexokinase (Homo sapiens (Human))	BDBM319584 (US10174007, Example 3 | US10787438, Example 3 | US...) Show SMILES COC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)N1CC[C@@H]1C)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-9-3-4-24(9)16-21-13(17(18,19)20)6-14(22-16)23-7-11-10(12(11)8-23)5-15(25)26-2/h6,9-12H,3-5,7-8H2,1-2H3/t9-,10-,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	256	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))	BDBM319584 (US10174007, Example 3 | US10787438, Example 3 | US...) Show SMILES COC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)N1CC[C@@H]1C)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-9-3-4-24(9)16-21-13(17(18,19)20)6-14(22-16)23-7-11-10(12(11)8-23)5-15(25)26-2/h6,9-12H,3-5,7-8H2,1-2H3/t9-,10-,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.51E+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)
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319584 (US10174007, Example 3 | US10787438, Example 3 | US...) Show SMILES COC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)N1CC[C@@H]1C)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-9-3-4-24(9)16-21-13(17(18,19)20)6-14(22-16)23-7-11-10(12(11)8-23)5-15(25)26-2/h6,9-12H,3-5,7-8H2,1-2H3/t9-,10-,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.51E+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 US10787438 (2020)
					More data for this Ligand-Target Pair