Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'raymer' and Initial = 'b'   

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))	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	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed noncompetitive inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507312 (CHEMBL4525277) Show SMILES Cc1ccc2c(noc2c1)N1CCN(CC1)C(=O)N([C@@H]1CCCNC1)c1nccc2ccccc12 |r| Show InChI InChI=1S/C27H30N6O2/c1-19-8-9-23-24(17-19)35-30-26(23)31-13-15-32(16-14-31)27(34)33(21-6-4-11-28-18-21)25-22-7-3-2-5-20(22)10-12-29-25/h2-3,5,7-10,12,17,21,28H,4,6,11,13-16,18H2,1H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50275437 (CHEMBL4129620) Show SMILES O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25N3O/c31-27(23-14-12-21(13-15-23)20-7-2-1-3-8-20)30(24-10-6-17-28-19-24)26-25-11-5-4-9-22(25)16-18-29-26/h1-5,7-9,11-16,18,24,28H,6,10,17,19H2/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507304 (CHEMBL4534859) Show SMILES O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N4O/c31-26(29-17-13-21(14-18-29)20-7-2-1-3-8-20)30(23-10-6-15-27-19-23)25-24-11-5-4-9-22(24)12-16-28-25/h1-5,7-9,11-12,16,21,23,27H,6,10,13-15,17-19H2/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507305 (CHEMBL4560206) Show SMILES Cn1ccc2ccnc(N([C@@H]3CCCNC3)C(=O)N3CCC(CC3)c3ccccc3)c12 |r| Show InChI InChI=1S/C25H31N5O/c1-28-15-10-21-9-14-27-24(23(21)28)30(22-8-5-13-26-18-22)25(31)29-16-11-20(12-17-29)19-6-3-2-4-7-19/h2-4,6-7,9-10,14-15,20,22,26H,5,8,11-13,16-18H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507313 (CHEMBL4533299) Show SMILES Cc1cnc2n(nnc2c1)-c1ccc(CCC(=O)N([C@@H]2CCCNC2)c2ncccc2Cl)nc1 |r| Show InChI InChI=1S/C24H25ClN8O/c1-16-12-21-24(29-13-16)33(31-30-21)19-8-6-17(28-15-19)7-9-22(34)32(18-4-2-10-26-14-18)23-20(25)5-3-11-27-23/h3,5-6,8,11-13,15,18,26H,2,4,7,9-10,14H2,1H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507307 (CHEMBL4456204) Show SMILES O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O/c31-25(29-17-15-28(16-18-29)21-8-2-1-3-9-21)30(22-10-6-13-26-19-22)24-23-11-5-4-7-20(23)12-14-27-24/h1-5,7-9,11-12,14,22,26H,6,10,13,15-19H2/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507306 (CHEMBL4527910) Show SMILES Cc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1F |r| Show InChI InChI=1S/C23H29FN4O/c1-17-6-4-13-26-22(17)28(19-7-5-12-25-16-19)23(29)27-14-10-18(11-15-27)20-8-2-3-9-21(20)24/h2-4,6,8-9,13,18-19,25H,5,7,10-12,14-16H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50275436 (CHEMBL4128250) Show SMILES COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507311 (CHEMBL4446635) Show SMILES Clc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H27ClN4O/c23-20-9-5-13-25-21(20)27(19-8-4-12-24-16-19)22(28)26-14-10-18(11-15-26)17-6-2-1-3-7-17/h1-3,5-7,9,13,18-19,24H,4,8,10-12,14-16H2/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507310 (CHEMBL4574496) Show SMILES Clc1cccnc1N([C@@H]1CCCNC1)C(=O)CCc1ccc(cc1)-n1nnc2cccnc12 |r| Show InChI InChI=1S/C24H24ClN7O/c25-20-5-2-14-27-23(20)31(19-4-1-13-26-16-19)22(33)12-9-17-7-10-18(11-8-17)32-24-21(29-30-32)6-3-15-28-24/h2-3,5-8,10-11,14-15,19,26H,1,4,9,12-13,16H2/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507303 (CHEMBL4469712) Show SMILES Cc1nccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H29N5O/c1-17-21(25-13-12-24-17)27(20-8-5-11-23-16-20)22(28)26-14-9-19(10-15-26)18-6-3-2-4-7-18/h2-4,6-7,12-13,19-20,23H,5,8-11,14-16H2,1H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507309 (CHEMBL4566239) Show SMILES Cc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H30N4O/c1-18-7-5-14-25-22(18)27(21-10-6-13-24-17-21)23(28)26-15-11-20(12-16-26)19-8-3-2-4-9-19/h2-5,7-9,14,20-21,24H,6,10-13,15-17H2,1H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50507308 (CHEMBL4554909) Show SMILES Cc1cccnc1N([C@@H]1CCCNC1)C(=O)N1CCC(CC1)c1cnn2cccnc12 |r| Show InChI InChI=1S/C23H29N7O/c1-17-5-2-10-25-21(17)30(19-6-3-9-24-15-19)23(31)28-13-7-18(8-14-28)20-16-27-29-12-4-11-26-22(20)29/h2,4-5,10-12,16,18-19,24H,3,6-9,13-15H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029 BindingDB Entry DOI: 10.7270/Q2X06BBW
					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	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 1 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					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))	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))	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 Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					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		n/a	n/a	1.5	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))	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))	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 Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					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	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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					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		n/a	n/a	1.5	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))	BDBM464138 (US10787438, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(F)c(C(F)F)c1C#N |r| Show InChI InChI=1S/C18H19F3N4O3/c1-7-12(26)6-25(7)17-9(3-22)14(16(20)21)15(19)18(23-17)24-4-10-8(2-13(27)28)11(10)5-24/h7-8,10-12,16,26H,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	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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM601403 (US11634410, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(F)c(n1)C(C)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	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))	BDBM319605 (US10174007, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)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 Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					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))	BDBM319602 (US10174007, Example 42 | US10787438, Example 42 | ...) Show SMILES C[C@H]1CCN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319602 (US10174007, Example 42 | US10787438, Example 42 | ...) Show SMILES C[C@H]1CCN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)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 Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319602 (US10174007, Example 42 | US10787438, Example 42 | ...) Show SMILES C[C@H]1CCN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)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		n/a	n/a	2.40	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))	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))	BDBM319605 (US10174007, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)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 A third KHK assay, referred to as Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physi...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM601403 (US11634410, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(F)c(n1)C(C)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.60	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))	BDBM464138 (US10787438, Example 50 | [(1R,5S,6R)-3-{5-cyano-4-...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(F)c(C(F)F)c1C#N |r| Show InChI InChI=1S/C18H19F3N4O3/c1-7-12(26)6-25(7)17-9(3-22)14(16(20)21)15(19)18(23-17)24-4-10-8(2-13(27)28)11(10)5-24/h7-8,10-12,16,26H,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	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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					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		n/a	n/a	3.30	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))	BDBM319600 (US10174007, Example 24 | US10787438, Example 24 | ...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O3/c1-7-14(17(18,19)20)21-16(24-6-12(25)8(24)2)22-15(7)23-4-10-9(3-13(26)27)11(10)5-23/h8-12,25H,3-6H2,1-2H3,(H,26,27)/t8-,9-,10-,11+,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.30	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))	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 A third KHK assay, referred to as Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physi...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319600 (US10174007, Example 24 | US10787438, Example 24 | ...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O3/c1-7-14(17(18,19)20)21-16(24-6-12(25)8(24)2)22-15(7)23-4-10-9(3-13(26)27)11(10)5-23/h8-12,25H,3-6H2,1-2H3,(H,26,27)/t8-,9-,10-,11+,12+/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 Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319600 (US10174007, Example 24 | US10787438, Example 24 | ...) Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C)c(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O3/c1-7-14(17(18,19)20)21-16(24-6-12(25)8(24)2)22-15(7)23-4-10-9(3-13(26)27)11(10)5-23/h8-12,25H,3-6H2,1-2H3,(H,26,27)/t8-,9-,10-,11+,12+/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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					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		n/a	n/a	3.60	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))	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 A third KHK assay, referred to as Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physi...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					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))	BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 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 US10787438 (2020) BindingDB Entry DOI: 10.7270/Q2VQ35RP
					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))	BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) Show SMILES C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 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		n/a	n/a	3.70	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

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