Found 5 hits of Enzyme Inhibition Constant Data 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 |
|---|
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50228388
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-methoxyphen...)Show SMILES COc1ccc(cc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C18H18N2O6/c1-24-12-4-2-10(3-5-12)14-6-11-8-20(18(23)19-17(11)26-14)16-7-13(22)15(9-21)25-16/h2-6,8,13,15-16,21-22H,7,9H2,1H3/t13-,15+,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cytosolic thymidine kinase 1 |
J Med Chem 50: 6627-37 (2007)
Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50228386
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-hydroxyphen...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H16N2O6/c20-8-14-12(22)6-15(24-14)19-7-10-5-13(25-16(10)18-17(19)23)9-1-3-11(21)4-2-9/h1-5,7,12,14-15,20-22H,6,8H2/t12-,14+,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cytosolic thymidine kinase 1 |
J Med Chem 50: 6627-37 (2007)
Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50228390
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-(1-fluorohe...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(OCCCCCCF)cc1 Show InChI InChI=1S/C23H27FN2O6/c24-9-3-1-2-4-10-30-17-7-5-15(6-8-17)19-11-16-13-26(23(29)25-22(16)32-19)21-12-18(28)20(14-27)31-21/h5-8,11,13,18,20-21,27-28H,1-4,9-10,12,14H2/t18-,20+,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cytosolic thymidine kinase 1 |
J Med Chem 50: 6627-37 (2007)
Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50228387
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(3-(1-fluorohe...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1cccc(OCCCCCCF)c1 Show InChI InChI=1S/C23H27FN2O6/c24-8-3-1-2-4-9-30-17-7-5-6-15(10-17)19-11-16-13-26(23(29)25-22(16)32-19)21-12-18(28)20(14-27)31-21/h5-7,10-11,13,18,20-21,27-28H,1-4,8-9,12,14H2/t18-,20+,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cytosolic thymidine kinase 1 |
J Med Chem 50: 6627-37 (2007)
Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50228389
(3-(2'-deoxy-beta-D-ribofuranosyl)-6-(4-(1-fluoroet...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C19H19FN2O6/c20-5-6-26-13-3-1-11(2-4-13)15-7-12-9-22(19(25)21-18(12)28-15)17-8-14(24)16(10-23)27-17/h1-4,7,9,14,16-17,23-24H,5-6,8,10H2/t14-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Medical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cytosolic thymidine kinase 1 |
J Med Chem 50: 6627-37 (2007)
Article DOI: 10.1021/jm700971p
BindingDB Entry DOI: 10.7270/Q29W0F7W |
More data for this
Ligand-Target Pair | |
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