Found 36 hits of ki for UniProtKB: P27158 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 |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50132297
(1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydro...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50205415
(({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-...)Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O Show InChI InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat mitochondrial thymidine kinase |
J Med Chem 25: 801-5 (1982)
BindingDB Entry DOI: 10.7270/Q2BZ66M6 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50404860
(CHEMBL2111285)Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r| Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50404860
(CHEMBL2111285)Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r| Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50367095
(CHEMBL607917)Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for the competitive inhibition constant Ki against ATP varied rat mitochondrial thymidine kinase |
J Med Chem 25: 801-5 (1982)
BindingDB Entry DOI: 10.7270/Q2BZ66M6 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50205415
(({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-...)Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O Show InChI InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for the Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase |
J Med Chem 25: 801-5 (1982)
BindingDB Entry DOI: 10.7270/Q2BZ66M6 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50404860
(CHEMBL2111285)Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r| Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028586
(1-(4-Benzyloxy-5-hydroxymethyl-tetrahydro-furan-2-...)Show SMILES Cc1cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C17H20N2O5/c1-11-8-19(17(22)18-16(11)21)15-7-13(14(9-20)24-15)23-10-12-5-3-2-4-6-12/h2-6,8,13-15,20H,7,9-10H2,1H3,(H,18,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028587
(1-(4-Ethylsulfanyl-5-hydroxymethyl-tetrahydro-fura...)Show InChI InChI=1S/C12H18N2O4S/c1-3-19-9-4-10(18-8(9)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028581
(1-(5-Hexylaminomethyl-4-hydroxy-tetrahydro-furan-2...)Show InChI InChI=1S/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50000969
(CHEMBL3143490)Show SMILES CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O |r| Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028574
(1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)...)Show SMILES CCO[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat Mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028576
(1-(5-Ethylaminomethyl-4-hydroxy-tetrahydro-furan-2...)Show InChI InChI=1S/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028579
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)Show SMILES CSc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C10H14N2O5S/c1-18-7-3-12(10(16)11-9(7)15)8-2-5(14)6(4-13)17-8/h3,5-6,8,13-14H,2,4H2,1H3,(H,11,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028574
(1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)...)Show SMILES CCO[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Non-competitive inhibition against rat mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50367095
(CHEMBL607917)Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat mitochondrial thymidine kinase |
J Med Chem 25: 801-5 (1982)
BindingDB Entry DOI: 10.7270/Q2BZ66M6 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028588
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(C)c1=O |r| Show InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50367095
(CHEMBL607917)Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for the mixed objective Non-competitive inhibition constant Ki against ATP varied cytoplasmic soluble thymidine kinase |
J Med Chem 25: 801-5 (1982)
BindingDB Entry DOI: 10.7270/Q2BZ66M6 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028577
(3-Benzyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-f...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O |r| Show InChI InChI=1S/C17H20N2O5/c1-11-8-18(15-7-13(21)14(10-20)24-15)17(23)19(16(11)22)9-12-5-3-2-4-6-12/h2-6,8,13-15,20-21H,7,9-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50000966
(CHEMBL3143491)Show SMILES Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
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| 3.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50132294
(1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...)Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50018445
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028584
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)Show SMILES C\C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18) | PDB MMDB
Reactome pathway KEGG
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| 5.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028580
(1-[4-Hydroxy-5-(2-hydroxy-ethylsulfanylmethyl)-tet...)Show InChI InChI=1S/C12H18N2O5S/c1-7-5-14(12(18)13-11(7)17)10-4-8(16)9(19-10)6-20-3-2-15/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18) | PDB MMDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| 8.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028592
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N |r| Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16) | PDB MMDB
Reactome pathway KEGG
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| 1.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50367095
(CHEMBL607917)Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28N7O17P3/c21-16-13-17(23-6-22-16)27(7-24-13)19-15(31)14(30)11(42-19)4-40-46(36,37)44-47(38,39)43-45(34,35)5-8-2-26(20(33)25-18(8)32)12-1-9(29)10(3-28)41-12/h2,6-7,9-12,14-15,19,28-31H,1,3-5H2,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase |
J Med Chem 25: 801-5 (1982)
BindingDB Entry DOI: 10.7270/Q2BZ66M6 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50013111
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9| Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028578
(CHEMBL160499 | N-[2-Hydroxymethyl-5-(5-methyl-2,4-...)Show InChI InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19) | PDB MMDB
Reactome pathway KEGG
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| 1.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Noncompetitive inhibition against rat mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028592
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N |r| Show InChI InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16) | PDB MMDB
Reactome pathway KEGG
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| 2.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028585
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)Show SMILES Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](CO)O1 Show InChI InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16) | PDB MMDB
Reactome pathway KEGG
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| 3.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability to inhibit the rat muscle adenylate kinase (AK II) isozyme in competition with the AMP varied |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028578
(CHEMBL160499 | N-[2-Hydroxymethyl-5-(5-methyl-2,4-...)Show InChI InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid PDB UniChem
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| 3.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028590
(4-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)Show SMILES Cc1cn(C2CC(O)C(CSCCCC(O)=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H20N2O6S/c1-8-6-16(14(21)15-13(8)20)11-5-9(17)10(22-11)7-23-4-2-3-12(18)19/h6,9-11,17H,2-5,7H2,1H3,(H,18,19)(H,15,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
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| 3.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability to inhibit the rat muscle adenylate kinase(AK II) isozyme in competition with the ATP varied |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028590
(4-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)Show SMILES Cc1cn(C2CC(O)C(CSCCCC(O)=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C14H20N2O6S/c1-8-6-16(14(21)15-13(8)20)11-5-9(17)10(22-11)7-23-4-2-3-12(18)19/h6,9-11,17H,2-5,7H2,1H3,(H,18,19)(H,15,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
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| 8.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Non-competitive inhibition against rat mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028585
(4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-fu...)Show SMILES Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](CO)O1 Show InChI InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16) | PDB MMDB
Reactome pathway KEGG
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| 1.14E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Noncompetitive inhibition against rat mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028584
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)Show SMILES C\C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C12H16N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h2-3,5,8-10,15-16H,4,6H2,1H3,(H,13,17,18) | PDB MMDB
Reactome pathway KEGG
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| 1.55E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Rattus norvegicus) | BDBM50028588
(1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(C)c1=O |r| Show InChI InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
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| 2.80E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Non-competitive inhibition against rat mitochondrial thymidine kinase |
J Med Chem 25: 644-9 (1982)
BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ |
More data for this Ligand-Target Pair | |