Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 9868   

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))	BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319583 (US10174007, Example 2 | US10787438, Example 2 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(Cl)c(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C18H18ClF3N4O3/c1-7-12(27)6-26(7)16-9(3-23)14(18(20,21)22)15(19)17(24-16)25-4-10-8(2-13(28)29)11(10)5-25/h7-8,10-12,27H,2,4-6H2,1H3,(H,28,29)/t7-,8-,10-,11+,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494884 (US10988463, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(F)c(c1C#N)C(C)(F)F Show InChI InChI=1S/C19H21F3N4O3/c1-8-13(27)7-26(8)17-10(4-23)15(19(2,21)22)16(20)18(24-17)25-5-11-9(3-14(28)29)12(11)6-25/h8-9,11-13,27H,3,5-7H2,1-2H3,(H,28,29)/t8-,9?,11?,12?,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494882 (US10988463, Example 42 | [(1R,5S,6R)-3-{5-methyl-2...) Show SMILES C[C@H]1CCN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O2/c1-8-3-4-24(8)16-21-14(17(18,19)20)9(2)15(22-16)23-6-11-10(5-13(25)26)12(11)7-23/h8,10-12H,3-7H2,1-2H3,(H,25,26)/t8-,10?,11?,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494884 (US10988463, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(F)c(c1C#N)C(C)(F)F Show InChI InChI=1S/C19H21F3N4O3/c1-8-13(27)7-26(8)17-10(4-23)15(19(2,21)22)16(20)18(24-17)25-5-11-9(3-14(28)29)12(11)6-25/h8-9,11-13,27H,3,5-7H2,1-2H3,(H,28,29)/t8-,9?,11?,12?,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319583 (US10174007, Example 2 | US10787438, Example 2 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(Cl)c(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C18H18ClF3N4O3/c1-7-12(27)6-26(7)16-9(3-23)14(18(20,21)22)15(19)17(24-16)25-4-10-8(2-13(28)29)11(10)5-25/h7-8,10-12,27H,2,4-6H2,1H3,(H,28,29)/t7-,8-,10-,11+,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494881 (US10988463, Example 40 | [(1R,5S,6R)-3-{5-chloro-6...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C16H19ClF2N4O2/c1-7-2-3-23(7)16-20-13(14(18)19)12(17)15(21-16)22-5-9-8(4-11(24)25)10(9)6-22/h7-10,14H,2-6H2,1H3,(H,24,25)/t7-,8?,9?,10?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494884 (US10988463, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(F)c(c1C#N)C(C)(F)F Show InChI InChI=1S/C19H21F3N4O3/c1-8-13(27)7-26(8)17-10(4-23)15(19(2,21)22)16(20)18(24-17)25-5-11-9(3-14(28)29)12(11)6-25/h8-9,11-13,27H,3,5-7H2,1-2H3,(H,28,29)/t8-,9?,11?,12?,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	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))	BDBM494884 (US10988463, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(F)c(c1C#N)C(C)(F)F Show InChI InChI=1S/C19H21F3N4O3/c1-8-13(27)7-26(8)17-10(4-23)15(19(2,21)22)16(20)18(24-17)25-5-11-9(3-14(28)29)12(11)6-25/h8-9,11-13,27H,3,5-7H2,1-2H3,(H,28,29)/t8-,9?,11?,12?,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	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))	BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM494887 (US10988463, Example 16 | [(1R,5S,6R)-3-{5-chloro-2...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(n1)C(F)(F)F Show InChI InChI=1S/C16H18ClF3N4O3/c1-6-10(25)5-24(6)15-21-13(16(18,19)20)12(17)14(22-15)23-3-8-7(2-11(26)27)9(8)4-23/h6-10,25H,2-5H2,1H3,(H,26,27)/t6-,7?,8?,9?,10+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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))	BDBM319583 (US10174007, Example 2 | US10787438, Example 2 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(Cl)c(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C18H18ClF3N4O3/c1-7-12(27)6-26(7)16-9(3-23)14(18(20,21)22)15(19)17(24-16)25-4-10-8(2-13(28)29)11(10)5-25/h7-8,10-12,27H,2,4-6H2,1H3,(H,28,29)/t7-,8-,10-,11+,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	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))	BDBM494890 (US10988463, Example 19 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1CCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C18H20F2N4O2/c1-9-2-3-24(9)18-12(6-21)11(17(19)20)4-15(22-18)23-7-13-10(5-16(25)26)14(13)8-23/h4,9-10,13-14,17H,2-3,5,7-8H2,1H3,(H,25,26)/t9-,10?,13?,14?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	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
Isoform A of Ketohexokinase (Peripheral) (Homo sapiens (Human))	BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H19F3N4O3/c1-8-14(26)7-25(8)17-10(4-22)13(18(19,20)21)3-15(23-17)24-5-11-9(2-16(27)28)12(11)6-24/h3,8-9,11-12,14,26H,2,5-7H2,1H3,(H,27,28)/t8-,9-,11-,12+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	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
Ketohexokinase (Homo sapiens (Human))	BDBM494883 (US10988463, Example 43 | [(1R,5S,6R)-3-{6-(difluor...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(C)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C17H22F2N4O2/c1-8-3-4-23(8)17-20-14(15(18)19)9(2)16(21-17)22-6-11-10(5-13(24)25)12(11)7-22/h8,10-12,15H,3-7H2,1-2H3,(H,24,25)/t8-,10?,11?,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494892 (US10988463, Example 21 | [(1R,5S,6R)-3-{3-chloro-5...) Show SMILES C[C@@H]1N(C[C@@]1(C)O)c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(C(F)F)c1C#N Show InChI InChI=1S/C19H21ClF2N4O3/c1-8-19(2,29)7-26(8)17-10(4-23)14(16(21)22)15(20)18(24-17)25-5-11-9(3-13(27)28)12(11)6-25/h8-9,11-12,16,29H,3,5-7H2,1-2H3,(H,27,28)/t8-,9?,11?,12?,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	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))	BDBM494882 (US10988463, Example 42 | [(1R,5S,6R)-3-{5-methyl-2...) Show SMILES C[C@H]1CCN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O2/c1-8-3-4-24(8)16-21-14(17(18,19)20)9(2)15(22-16)23-6-11-10(5-13(25)26)12(11)7-23/h8,10-12H,3-7H2,1-2H3,(H,25,26)/t8-,10?,11?,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	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))	BDBM494882 (US10988463, Example 42 | [(1R,5S,6R)-3-{5-methyl-2...) Show SMILES C[C@H]1CCN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O2/c1-8-3-4-24(8)16-21-14(17(18,19)20)9(2)15(22-16)23-6-11-10(5-13(25)26)12(11)7-23/h8,10-12H,3-7H2,1-2H3,(H,25,26)/t8-,10?,11?,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494881 (US10988463, Example 40 | [(1R,5S,6R)-3-{5-chloro-6...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C16H19ClF2N4O2/c1-7-2-3-23(7)16-20-13(14(18)19)12(17)15(21-16)22-5-9-8(4-11(24)25)10(9)6-22/h7-10,14H,2-6H2,1H3,(H,24,25)/t7-,8?,9?,10?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.1	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))	BDBM494881 (US10988463, Example 40 | [(1R,5S,6R)-3-{5-chloro-6...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C16H19ClF2N4O2/c1-7-2-3-23(7)16-20-13(14(18)19)12(17)15(21-16)22-5-9-8(4-11(24)25)10(9)6-22/h7-10,14H,2-6H2,1H3,(H,24,25)/t7-,8?,9?,10?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.1	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))	BDBM494894 (US10988463, Example 23 | [(1R,5S,6R)-3-{5-cyano-6-...) Show SMILES C[C@H]1C[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)C12CNCC1C2CC(O)=O Show InChI InChI=1S/C19H21F3N4O3/c1-9-2-10(27)7-26(9)17-11(5-23)12(19(20,21)22)3-15(25-17)18-8-24-6-14(18)13(18)4-16(28)29/h3,9-10,13-14,24,27H,2,4,6-8H2,1H3,(H,28,29)/t9-,10-,13?,14?,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.6	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
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
					More data for this Ligand-Target Pair
Ketohexokinase (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494921 (US10988463, Example 55 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@@H]1N(C[C@@]1(C)O)c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C19H22F2N4O3/c1-9-19(2,28)8-25(9)18-12(5-22)11(17(20)21)3-15(23-18)24-6-13-10(4-16(26)27)14(13)7-24/h3,9-10,13-14,17,28H,4,6-8H2,1-2H3,(H,26,27)/t9-,10?,13?,14?,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	14.2	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))	BDBM494889 (US10988463, Example 18 | [(1R,5S,6R)-3-{5-chloro-6...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(n1)C(C)(F)F Show InChI InChI=1S/C17H21ClF2N4O3/c1-7-11(25)6-24(7)16-21-14(17(2,19)20)13(18)15(22-16)23-4-9-8(3-12(26)27)10(9)5-23/h7-11,25H,3-6H2,1-2H3,(H,26,27)/t7-,8?,9?,10?,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.7	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))	BDBM494883 (US10988463, Example 43 | [(1R,5S,6R)-3-{6-(difluor...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(C)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C17H22F2N4O2/c1-8-3-4-23(8)17-20-14(15(18)19)9(2)16(21-17)22-6-11-10(5-13(24)25)12(11)7-22/h8,10-12,15H,3-7H2,1-2H3,(H,24,25)/t8-,10?,11?,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	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))	BDBM494883 (US10988463, Example 43 | [(1R,5S,6R)-3-{6-(difluor...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(C)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C17H22F2N4O2/c1-8-3-4-23(8)17-20-14(15(18)19)9(2)16(21-17)22-6-11-10(5-13(24)25)12(11)7-22/h8,10-12,15H,3-7H2,1-2H3,(H,24,25)/t8-,10?,11?,12?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	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))	BDBM494920 (US10988463, Example 54 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(nc(c1C#N)C(F)(F)F)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C17H18F3N5O3/c1-7-12(26)6-25(7)15-9(3-21)14(17(18,19)20)22-16(23-15)24-4-10-8(2-13(27)28)11(10)5-24/h7-8,10-12,26H,2,4-6H2,1H3,(H,27,28)/t7-,8?,10?,11?,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM494886 (US10988463, Example 15 | [(1R,5S,6R)-3-{5-chloro-6...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(C(F)F)c(Cl)c(n1)C12CNCC1C2CC(O)=O Show InChI InChI=1S/C16H19ClF2N4O3/c1-6-9(24)4-23(6)15-21-12(14(18)19)11(17)13(22-15)16-5-20-3-8(16)7(16)2-10(25)26/h6-9,14,20,24H,2-5H2,1H3,(H,25,26)/t6-,7?,8?,9+,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	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))	BDBM494919 (US10988463, Example 53 | [(1R,5S,6R)-3-{5-cyano-2-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C#N)c(n1)C(F)(F)F Show InChI InChI=1S/C17H18F3N5O3/c1-7-12(26)6-25(7)16-22-14(17(18,19)20)9(3-21)15(23-16)24-4-10-8(2-13(27)28)11(10)5-24/h7-8,10-12,26H,2,4-6H2,1H3,(H,27,28)/t7-,8?,10?,11?,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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))	BDBM494913 (US10988463, Example 46 | {(1R,5S,6s)-3-[6-(azetidi...) Show SMILES OC(=O)CC1C2CN(CC12)c1cc(c(C#N)c(n1)N1CCC1)C(F)(F)F Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)13-5-14(22-16(10(13)6-21)23-2-1-3-23)24-7-11-9(4-15(25)26)12(11)8-24/h5,9,11-12H,1-4,7-8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.5	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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.7	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))	BDBM494909 (US10988463, Example 39 | {(1R,5S,6s)-3-[2-(2-methy...) Show SMILES CC1CCCCN1c1nc(cc(n1)C(F)(F)F)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C18H23F3N4O2/c1-10-4-2-3-5-25(10)17-22-14(18(19,20)21)7-15(23-17)24-8-12-11(6-16(26)27)13(12)9-24/h7,10-13H,2-6,8-9H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.8	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))	BDBM494908 (US10988463, Example 38 | {(1R,5S,6s)-3-[5-cyano-4-...) Show SMILES CC1CCCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C19H22F2N4O2/c1-10-3-2-4-25(10)19-13(7-22)12(18(20)21)5-16(23-19)24-8-14-11(6-17(26)27)15(14)9-24/h5,10-11,14-15,18H,2-4,6,8-9H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25.3	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) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494901 (US10988463, Example 31 | {(1R,5S,6s)-3-[5-cyano-6-...) Show SMILES OC(=O)CC1C2CN(CC12)c1cc(c(C#N)c(n1)C1CCC1)C(F)(F)F Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)14-5-15(23-17(11(14)6-22)9-2-1-3-9)24-7-12-10(4-16(25)26)13(12)8-24/h5,9-10,12-13H,1-4,7-8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM494891 (US10988463, Example 20 | [(1R,5S,6R)-3-{6-(difluor...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(C(F)F)c(C)c(n1)N1CC2C(CC(O)=O)C2C1 Show InChI InChI=1S/C17H22F2N4O3/c1-7-14(15(18)19)20-17(23-6-12(24)8(23)2)21-16(7)22-4-10-9(3-13(25)26)11(10)5-22/h8-12,15,24H,3-6H2,1-2H3,(H,25,26)/t8-,9?,10?,11?,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.4	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))	BDBM319598 (US10174007, Example 13 | US10787438, Example 13 | ...) Show SMILES COc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C17H21F3N4O4/c1-7-11(25)6-24(7)16-21-14(17(18,19)20)13(28-2)15(22-16)23-4-9-8(3-12(26)27)10(9)5-23/h7-11,25H,3-6H2,1-2H3,(H,26,27)/t7-,8-,9-,10+,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.9	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))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	37.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494911 (US10988463, Example 44 | [(1R,5S,6R)-3-{6-(1,1-dif...) Show SMILES C[C@H]1CCN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(C)(F)F Show InChI InChI=1S/C18H24F2N4O2/c1-9-4-5-24(9)17-21-15(18(3,19)20)10(2)16(22-17)23-7-12-11(6-14(25)26)13(12)8-23/h9,11-13H,4-8H2,1-3H3,(H,25,26)/t9-,11?,12?,13?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51.4	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))	BDBM319589 (US10174007, Example 8 | US10787438, Example 8 | US...) Show SMILES CCc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H23F3N4O3/c1-3-9-15(18(19,20)21)22-17(25-7-13(26)8(25)2)23-16(9)24-5-11-10(4-14(27)28)12(11)6-24/h8,10-13,26H,3-7H2,1-2H3,(H,27,28)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.8	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))	BDBM494907 (US10988463, Example 37 | {(1R,5S,6s)-3-[5-cyano-4-...) Show SMILES OC(=O)CC1C2CN(CC12)c1cc(C(F)F)c(C#N)c(n1)N1CCCC1 Show InChI InChI=1S/C18H20F2N4O2/c19-17(20)11-5-15(22-18(12(11)7-21)23-3-1-2-4-23)24-8-13-10(6-16(25)26)14(13)9-24/h5,10,13-14,17H,1-4,6,8-9H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.3	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) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat...				US Patent US10988463 (2021) BindingDB Entry DOI: 10.7270/Q2SJ1PRS
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM494896 (US10988463, Example 26 | [(1R,5S,6R)-3-{2-[(2S,3R)...) Show SMILES C[C@@H]1N(C[C@@]1(C)O)c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C18H23F3N4O3/c1-8-14(18(19,20)21)22-16(25-7-17(3,28)9(25)2)23-15(8)24-5-11-10(4-13(26)27)12(11)6-24/h9-12,28H,4-7H2,1-3H3,(H,26,27)/t9-,10?,11?,12?,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.6	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

Displayed 1 to 50 (of 79 total )  |  Next  |  Last  >>

Jump to: