Found 25 hits of ic50 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)) | BDBM50550238
(CHEMBL4749381)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cn1sc2ccccc2c1=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GST-tagged human TMPK expressed in Escherichia coli BL21 incubated for 10 mins by luciferase-coupled TMPK assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2N01B58 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50550239
(CHEMBL4758532)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cn1sc2ncccc2c1=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GST-tagged human TMPK expressed in Escherichia coli BL21 incubated for 10 mins by luciferase-coupled TMPK assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2N01B58 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50365395
(CHEMBL395814)Show SMILES OC(=O)c1cc(SSc2ccc(c(c2)C(O)=O)[N+]([O-])=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f
BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50550240
(CHEMBL4757635)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GST-tagged human TMPK expressed in Escherichia coli BL21 incubated for 10 mins by luciferase-coupled TMPK assay |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2N01B58 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367702
(CHEMBL606084)Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H33N7O25P6/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(48-13)4-46-54(34,35)8-55(36,37)50-57(40,41)52-59(44,45)53-58(42,43)51-56(38,39)47-5-12-15(30)16(31)20(49-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367696
(CHEMBL605435)Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H32N7O22P5/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(46-13)4-44-51(34,35)8-52(36,37)48-54(40,41)50-55(42,43)49-53(38,39)45-5-12-15(30)16(31)20(47-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367698
(CHEMBL604405)Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H31N7O26P6/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(47-12)4-45-54(33,34)49-56(37,38)51-58(41,42)53-59(43,44)52-57(39,40)50-55(35,36)46-5-11-14(29)15(30)19(48-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50366828
(CHEMBL1236157)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50398957
(CHEMBL2179281)Show SMILES CCCCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Br)c2)c1 |r| Show InChI InChI=1S/C29H34BrN3O5/c1-3-4-5-11-25(32-14-7-9-22(18-32)33-17-19(2)27(34)31-29(33)37)20-12-13-24(28(35)36)26(15-20)38-23-10-6-8-21(30)16-23/h6,8,10,12-13,15-17,22,25H,3-5,7,9,11,14,18H2,1-2H3,(H,35,36)(H,31,34,37)/t22-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay |
J Med Chem 55: 10010-21 (2012)
Article DOI: 10.1021/jm3011806
BindingDB Entry DOI: 10.7270/Q2BR8T99 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50398958
(CHEMBL2179279)Show SMILES CCC(C)(C)C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C30H36ClN3O5/c1-5-30(3,4)16-25(33-13-7-9-22(18-33)34-17-19(2)27(35)32-29(34)38)20-11-12-24(28(36)37)26(14-20)39-23-10-6-8-21(31)15-23/h6,8,10-12,14-15,17,22,25H,5,7,9,13,16,18H2,1-4H3,(H,36,37)(H,32,35,38)/t22-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay |
J Med Chem 55: 10010-21 (2012)
Article DOI: 10.1021/jm3011806
BindingDB Entry DOI: 10.7270/Q2BR8T99 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50398959
(CHEMBL2179277)Show SMILES Cc1cn([C@H]2CCCN(C2)[C@H](CC(C)(C)C)c2ccc(C(O)=O)c(Oc3cccc(Br)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C29H34BrN3O5/c1-18-16-33(28(37)31-26(18)34)21-8-6-12-32(17-21)24(15-29(2,3)4)19-10-11-23(27(35)36)25(13-19)38-22-9-5-7-20(30)14-22/h5,7,9-11,13-14,16,21,24H,6,8,12,15,17H2,1-4H3,(H,35,36)(H,31,34,37)/t21-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay |
J Med Chem 55: 10010-21 (2012)
Article DOI: 10.1021/jm3011806
BindingDB Entry DOI: 10.7270/Q2BR8T99 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50365393
(CHEMBL1956669)Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(F)cc1 Show InChI InChI=1S/C23H21FN4O2/c1-28-20-13-18(14-26-21(20)27-23(28)30)16-5-2-6-17(12-16)22(29)25-11-3-4-15-7-9-19(24)10-8-15/h2,5-10,12-14H,3-4,11H2,1H3,(H,25,29)(H,26,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f
BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50365394
(CHEMBL1956676)Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21F3N4O2/c1-31-20-13-18(14-29-21(20)30-23(31)33)16-5-2-6-17(12-16)22(32)28-11-3-4-15-7-9-19(10-8-15)24(25,26)27/h2,5-10,12-14H,3-4,11H2,1H3,(H,28,32)(H,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f
BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50398961
(CHEMBL2179269)Show SMILES C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C25H26ClN3O5/c1-15-13-29(25(33)27-23(15)30)19-6-4-10-28(14-19)16(2)17-8-9-21(24(31)32)22(11-17)34-20-7-3-5-18(26)12-20/h3,5,7-9,11-13,16,19H,4,6,10,14H2,1-2H3,(H,31,32)(H,27,30,33)/t16-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay |
J Med Chem 55: 10010-21 (2012)
Article DOI: 10.1021/jm3011806
BindingDB Entry DOI: 10.7270/Q2BR8T99 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50398960
(CHEMBL2179273)Show SMILES CCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C27H30ClN3O5/c1-3-6-23(30-12-5-8-20(16-30)31-15-17(2)25(32)29-27(31)35)18-10-11-22(26(33)34)24(13-18)36-21-9-4-7-19(28)14-21/h4,7,9-11,13-15,20,23H,3,5-6,8,12,16H2,1-2H3,(H,33,34)(H,29,32,35)/t20-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay |
J Med Chem 55: 10010-21 (2012)
Article DOI: 10.1021/jm3011806
BindingDB Entry DOI: 10.7270/Q2BR8T99 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50428613
(CHEMBL2331747)Show SMILES Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H22ClN3O6S/c1-14-12-26(22(29)24-21(14)28)16-5-3-9-25(13-16)33(30,31)18-7-8-19(27)20(11-18)32-17-6-2-4-15(23)10-17/h2,4,6-8,10-12,16,27H,3,5,9,13H2,1H3,(H,24,28,29)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase |
Bioorg Med Chem Lett 23: 169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.128
BindingDB Entry DOI: 10.7270/Q22J6D74 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50398962
(CHEMBL2179669)Show SMILES Cc1cn([C@H]2CCCN(Cc3ccc(C(O)=O)c(Oc4cccc(c4)C(F)(F)F)c3)C2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H24F3N3O5/c1-15-12-31(24(35)29-22(15)32)18-5-3-9-30(14-18)13-16-7-8-20(23(33)34)21(10-16)36-19-6-2-4-17(11-19)25(26,27)28/h2,4,6-8,10-12,18H,3,5,9,13-14H2,1H3,(H,33,34)(H,29,32,35)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay |
J Med Chem 55: 10010-21 (2012)
Article DOI: 10.1021/jm3011806
BindingDB Entry DOI: 10.7270/Q2BR8T99 |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50365391
(CHEMBL1956642)Show InChI InChI=1S/C14H12N4O2/c1-18-11-6-10(7-16-13(11)17-14(18)20)8-3-2-4-9(5-8)12(15)19/h2-7H,1H3,(H2,15,19)(H,16,17,20) | PDB
MMDB
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KEGG
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CHEMBL
MMDB
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PC sid
PDB
UniChem
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| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f
BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50365390
(CHEMBL1956634)Show InChI InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f
BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50365392
(CHEMBL1956668)Show SMILES Cn1c2cc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C23H22N4O2/c1-27-20-14-19(15-25-21(20)26-23(27)29)17-10-5-11-18(13-17)22(28)24-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,24,28)(H,25,26,29) | PDB
MMDB
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KEGG
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antibodypedia
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f
BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367703
(CHEMBL1794614 | CHEMBL603793)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB
MMDB
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KEGG
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CHEMBL
KEGG
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367697
(CHEMBL606301)Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H31N7O19P4/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(44-13)4-42-48(34,35)8-49(36,37)46-51(40,41)47-50(38,39)43-5-12-15(30)16(31)20(45-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367704
(CHEMBL604419)Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H30N7O16P3/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(42-13)4-40-45(34,35)8-46(36,37)44-47(38,39)41-5-12-15(30)16(31)20(43-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367699
(CHEMBL604420)Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)OP(O)(O)OP(O)(O)OP(O)(O)OP(O)(O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H39N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-44,53-57H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19?,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
Thymidylate kinase
(Homo sapiens (Human)) | BDBM50367701
(CHEMBL605228)Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H28N7O17P3/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(41-12)4-39-45(33,34)43-47(37,38)44-46(35,36)40-5-11-14(29)15(30)19(42-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.23E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells |
J Med Chem 31: 1305-8 (1988)
BindingDB Entry DOI: 10.7270/Q2FT8MNX |
More data for this
Ligand-Target Pair | |
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