Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM319588'   

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))	BDBM319588 (US10174007, Example 7 | US10787438, Example 7 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C2CC2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H23F3N4O3/c1-8-13(27)7-26(8)18-23-16(19(20,21)22)15(9-2-3-9)17(24-18)25-5-11-10(4-14(28)29)12(11)6-25/h8-13,27H,2-7H2,1H3,(H,28,29)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	111	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))	BDBM319588 (US10174007, Example 7 | US10787438, Example 7 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C2CC2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H23F3N4O3/c1-8-13(27)7-26(8)18-23-16(19(20,21)22)15(9-2-3-9)17(24-18)25-5-11-10(4-14(28)29)12(11)6-25/h8-13,27H,2-7H2,1H3,(H,28,29)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	111	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))	BDBM319588 (US10174007, Example 7 | US10787438, Example 7 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C2CC2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H23F3N4O3/c1-8-13(27)7-26(8)18-23-16(19(20,21)22)15(9-2-3-9)17(24-18)25-5-11-10(4-14(28)29)12(11)6-25/h8-13,27H,2-7H2,1H3,(H,28,29)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	111	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
Ketohexokinase (Homo sapiens (Human))	BDBM319588 (US10174007, Example 7 | US10787438, Example 7 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C2CC2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H23F3N4O3/c1-8-13(27)7-26(8)18-23-16(19(20,21)22)15(9-2-3-9)17(24-18)25-5-11-10(4-14(28)29)12(11)6-25/h8-13,27H,2-7H2,1H3,(H,28,29)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	111	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) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					More data for this Ligand-Target Pair