Found 13 hits of ki for UniProtKB: P23919 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 |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50271535
(6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H...)Show SMILES OC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C17H19BrN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50359618
(CHEMBL1928428)Show SMILES Cc1cn([C@H]2C[C@H](NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C18H18ClF3N4O5/c1-8-6-26(17(30)25-15(8)28)14-5-12(13(7-27)31-14)24-16(29)23-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,6,12-14,27H,5,7H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Competitive inhibition of human TMPK by Lineweaver-Burk analysis |
Bioorg Med Chem 19: 7603-11 (2011)
Article DOI: 10.1016/j.bmc.2011.10.021 BindingDB Entry DOI: 10.7270/Q2JH3MMD |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50271531
(5-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2...)Show InChI InChI=1S/C16H17ClN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM1
(dT | thymidine)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM1
(dT | thymidine)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of human TMPK by coupled spectrophotometric assay |
J Med Chem 47: 6187-94 (2004)
Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50207303
(5-BROMO-2'-DEOXY URIDINE | 5-bromo-1-((2R,4S,5R)-4...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50131909
(1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrah...)Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of human TMPK by coupled spectrophotometric assay |
J Med Chem 47: 6187-94 (2004)
Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50164421
(4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin...)Show InChI InChI=1S/C16H18N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50164412
(4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl...)Show InChI InChI=1S/C15H15BrN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50156570
(1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-b...)Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(H,14,17,18)/t6-,7-,8-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of human TMPK by coupled spectrophotometric assay |
J Med Chem 47: 6187-94 (2004)
Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50271448
(5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...)Show InChI InChI=1S/C15H15ClN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of human TMPK |
Bioorg Med Chem 16: 6075-85 (2008)
Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50156572
(1-[3-C-(azido-methyl)-2,3-dideoxy-beta-D-thereo-pe...)Show SMILES Cc1cn([C@H]2C[C@H](CN[N+]#N)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,13,17H,2-3,5H2,1H3/p+1/t7-,8-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.04E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of human TMPK by coupled spectrophotometric assay |
J Med Chem 47: 6187-94 (2004)
Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1 |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50156573
(1-(3-aminomethyl-2-O-,6-N-carbonyl-3-deoxy-beta-D-...)Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=O)O[C@@H]23)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O6/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)20-10)2-13-12(19)21-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,19)(H,14,17,18)/t6-,7-,8-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of human TMPK by coupled spectrophotometric assay |
J Med Chem 47: 6187-94 (2004)
Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1 |
More data for this Ligand-Target Pair | |