Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50035828 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)) | BDBM50002692
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50002692
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50367921
(CHEMBL1790740)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=S Show InChI InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)17)8-2-6(14)7(4-13)16-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,17)/t6-,7+,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
MCE
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 |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Iinhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50367920
(CHEMBL1790742)Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=S Show InChI InChI=1S/C10H13N5O3S/c1-5-3-15(10(17)12-9(5)19)8-2-6(13-14-11)7(4-16)18-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,19)/t6-,7+,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50145605
(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
PubMed
| 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013115
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)Show SMILES OC[C@H]1O[C@H](C=C1)n1ccc(=O)[nH]c1=O |c:5| Show InChI InChI=1S/C9H10N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013114
(Benzoic acid 5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)Show SMILES Cc1cn([C@H]2CC[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,18,20,22)/t13-,14+/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
| PubMed
| 5.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013114
(Benzoic acid 5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-...)Show SMILES Cc1cn([C@H]2CC[C@@H](COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,18,20,22)/t13-,14+/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
| PubMed
| 5.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase in two references. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013116
(Benzoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin...)Show SMILES O=C(OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O)c1ccccc1 Show InChI InChI=1S/C16H16N2O5/c19-13-8-9-18(16(21)17-13)14-7-6-12(23-14)10-22-15(20)11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,17,19,21)/t12-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit deoxycytidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013116
(Benzoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin...)Show SMILES O=C(OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O)c1ccccc1 Show InChI InChI=1S/C16H16N2O5/c19-13-8-9-18(16(21)17-13)14-7-6-12(23-14)10-22-15(20)11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,17,19,21)/t12-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50145605
(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
PubMed
| 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase in two references. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013119
(1-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-4-thioxo...)Show InChI InChI=1S/C9H12N2O3S/c12-5-6-1-2-8(14-6)11-4-3-7(15)10-9(11)13/h3-4,6,8,12H,1-2,5H2,(H,10,13,15)/t6-,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.28E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013109
(1-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl...)Show InChI InChI=1S/C10H14N2O3S/c1-6-4-12(10(14)11-9(6)16)8-3-2-7(5-13)15-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,16)/t7-,8+/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
| PubMed
| 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013118
(1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-4-thiox...)Show SMILES OC[C@H]1O[C@H](C=C1)n1ccc(=S)[nH]c1=O |c:5| Show InChI InChI=1S/C9H10N2O3S/c12-5-6-1-2-8(14-6)11-4-3-7(15)10-9(11)13/h1-4,6,8,12H,5H2,(H,10,13,15)/t6-,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.69E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50013110
(1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methy...)Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=S |c:9| Show InChI InChI=1S/C10H12N2O3S/c1-6-4-12(10(14)11-9(6)16)8-3-2-7(5-13)15-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,16)/t7-,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.69E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit thymus thymidine kinase |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50421873
(CHEMBL2115278)Show SMILES Nc1ccn([C@@H]2O[C@H](CO)C=C2)c(=O)n1 |r,c:10| Show InChI InChI=1S/C9H11N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h1-4,6,8,13H,5H2,(H2,10,11,14)/t6-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50421873
(CHEMBL2115278)Show SMILES Nc1ccn([C@@H]2O[C@H](CO)C=C2)c(=O)n1 |r,c:10| Show InChI InChI=1S/C9H11N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h1-4,6,8,13H,5H2,(H2,10,11,14)/t6-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan Cancer Foundation
Curated by ChEMBL
| Assay Description
Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase. |
J Med Chem 33: 258-63 (1990)
BindingDB Entry DOI: 10.7270/Q2P26ZQS |
More data for this
Ligand-Target Pair | |
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