Found 93 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 |
|---|
Thymidylate synthase
(Escherichia coli) | BDBM50426855
(CHEMBL2323403)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)\C=C\c3ccccc3)cc3cccc1c23 Show InChI InChI=1S/C20H13NO5S/c22-19-16-8-4-7-14-11-15(12-17(18(14)16)20(23)26-19)21-27(24,25)10-9-13-5-2-1-3-6-13/h1-12,21H/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426867
(CHEMBL2323388)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3ccccc3)cc3cccc1c23 Show InChI InChI=1S/C18H11NO5S/c20-17-14-8-4-5-11-9-12(10-15(16(11)14)18(21)24-17)19-25(22,23)13-6-2-1-3-7-13/h1-10,19H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426859
(CHEMBL2323396)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4cccnc34)cc3cccc1c23 Show InChI InChI=1S/C21H12N2O5S/c24-20-15-7-1-5-13-10-14(11-16(18(13)15)21(25)28-20)23-29(26,27)17-8-2-4-12-6-3-9-22-19(12)17/h1-11,23H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426864
(CHEMBL2323391)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccs3)cc3cccc1c23 Show InChI InChI=1S/C16H9NO5S2/c18-15-11-4-1-3-9-7-10(8-12(14(9)11)16(19)22-15)17-24(20,21)13-5-2-6-23-13/h1-8,17H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426855
(CHEMBL2323403)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)\C=C\c3ccccc3)cc3cccc1c23 Show InChI InChI=1S/C20H13NO5S/c22-19-16-8-4-7-14-11-15(12-17(18(14)16)20(23)26-19)21-27(24,25)10-9-13-5-2-1-3-6-13/h1-12,21H/b10-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426860
(CHEMBL2323395)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4ccccc34)cc3cccc1c23 Show InChI InChI=1S/C22H13NO5S/c24-21-17-9-3-7-14-11-15(12-18(20(14)17)22(25)28-21)23-29(26,27)19-10-4-6-13-5-1-2-8-16(13)19/h1-12,23H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426854
(CHEMBL2323362)Show SMILES Cn1cc(cc1C(F)(F)F)-c1ccc(s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C22H13F3N2O5S2/c1-27-10-12(8-17(27)22(23,24)25)16-5-6-18(33-16)34(30,31)26-13-7-11-3-2-4-14-19(11)15(9-13)21(29)32-20(14)28/h2-10,26H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426863
(CHEMBL2323392)Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)C(F)(F)F Show InChI InChI=1S/C19H9F3N2O7S/c20-19(21,22)10-4-5-15(14(7-10)24(27)28)32(29,30)23-11-6-9-2-1-3-12-16(9)13(8-11)18(26)31-17(12)25/h1-8,23H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426858
(CHEMBL2323397)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4nsnc34)cc3cccc1c23 Show InChI InChI=1S/C18H9N3O5S2/c22-17-11-4-1-3-9-7-10(8-12(15(9)11)18(23)26-17)21-28(24,25)14-6-2-5-13-16(14)20-27-19-13/h1-8,21H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426860
(CHEMBL2323395)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4ccccc34)cc3cccc1c23 Show InChI InChI=1S/C22H13NO5S/c24-21-17-9-3-7-14-11-15(12-18(20(14)17)22(25)28-21)23-29(26,27)19-10-4-6-13-5-1-2-8-16(13)19/h1-12,23H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426866
(CHEMBL2323389)Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H10N2O7S/c21-17-14-6-1-3-10-7-11(8-15(16(10)14)18(22)27-17)19-28(25,26)13-5-2-4-12(9-13)20(23)24/h1-9,19H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426862
(CHEMBL2323393)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3ccc(s3)S(=O)(=O)c3ccccc3)cc3cccc1c23 Show InChI InChI=1S/C22H13NO7S3/c24-21-16-8-4-5-13-11-14(12-17(20(13)16)22(25)30-21)23-33(28,29)19-10-9-18(31-19)32(26,27)15-6-2-1-3-7-15/h1-12,23H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426861
(CHEMBL2323394)Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C16H7Cl2NO5S2/c17-12-6-11(14(18)25-12)26(22,23)19-8-4-7-2-1-3-9-13(7)10(5-8)16(21)24-15(9)20/h1-6,19H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426865
(CHEMBL2323390)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H10N2O7S/c21-17-14-3-1-2-10-8-11(9-15(16(10)14)18(22)27-17)19-28(25,26)13-6-4-12(5-7-13)20(23)24/h1-9,19H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426863
(CHEMBL2323392)Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)C(F)(F)F Show InChI InChI=1S/C19H9F3N2O7S/c20-19(21,22)10-4-5-15(14(7-10)24(27)28)32(29,30)23-11-6-9-2-1-3-12-16(9)13(8-11)18(26)31-17(12)25/h1-8,23H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426865
(CHEMBL2323390)Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H10N2O7S/c21-17-14-3-1-2-10-8-11(9-15(16(10)14)18(22)27-17)19-28(25,26)13-6-4-12(5-7-13)20(23)24/h1-9,19H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426862
(CHEMBL2323393)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3ccc(s3)S(=O)(=O)c3ccccc3)cc3cccc1c23 Show InChI InChI=1S/C22H13NO7S3/c24-21-16-8-4-5-13-11-14(12-17(20(13)16)22(25)30-21)23-33(28,29)19-10-9-18(31-19)32(26,27)15-6-2-1-3-7-15/h1-12,23H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426854
(CHEMBL2323362)Show SMILES Cn1cc(cc1C(F)(F)F)-c1ccc(s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C22H13F3N2O5S2/c1-27-10-12(8-17(27)22(23,24)25)16-5-6-18(33-16)34(30,31)26-13-7-11-3-2-4-14-19(11)15(9-13)21(29)32-20(14)28/h2-10,26H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50146058
(Benzo[de]isochromene-1,3-dione | CHEMBL316059)Show InChI InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426876
(CHEMBL2323371)Show InChI InChI=1S/C13H6O5/c14-11(15)7-4-5-9-10-6(7)2-1-3-8(10)12(16)18-13(9)17/h1-5H,(H,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426866
(CHEMBL2323389)Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H10N2O7S/c21-17-14-6-1-3-10-7-11(8-15(16(10)14)18(22)27-17)19-28(25,26)13-5-2-4-12(9-13)20(23)24/h1-9,19H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426864
(CHEMBL2323391)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccs3)cc3cccc1c23 Show InChI InChI=1S/C16H9NO5S2/c18-15-11-4-1-3-9-7-10(8-12(14(9)11)16(19)22-15)17-24(20,21)13-5-2-6-23-13/h1-8,17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426874
(CHEMBL2323378)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H10N2O6/c22-17(11-4-1-5-13(8-11)21(25)26)20-12-7-10-3-2-6-14-16(10)15(9-12)19(24)27-18(14)23/h1-9H,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426859
(CHEMBL2323396)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4cccnc34)cc3cccc1c23 Show InChI InChI=1S/C21H12N2O5S/c24-20-15-7-1-5-13-10-14(11-16(18(13)15)21(25)28-20)23-29(26,27)17-8-2-4-12-6-3-9-22-19(12)17/h1-11,23H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426853
(CHEMBL2323364)Show InChI InChI=1S/C11H6OS/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426849
(CHEMBL2323367)Show InChI InChI=1S/C14H12O/c1-9-5-6-10-7-8-13(15)12-4-2-3-11(9)14(10)12/h2-6H,7-8H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426871
(CHEMBL2323383)Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H9ClN2O6/c20-14-5-4-10(7-15(14)22(26)27)17(23)21-11-6-9-2-1-3-12-16(9)13(8-11)19(25)28-18(12)24/h1-8H,(H,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426852
(CHEMBL2323363)Show InChI InChI=1S/C11H6O2/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426867
(CHEMBL2323388)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3ccccc3)cc3cccc1c23 Show InChI InChI=1S/C18H11NO5S/c20-17-14-8-4-5-11-9-12(10-15(16(11)14)18(21)24-17)19-25(22,23)13-6-2-1-3-7-13/h1-10,19H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426872
(CHEMBL2323382)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C20H10F3NO4/c21-20(22,23)12-5-1-4-11(7-12)17(25)24-13-8-10-3-2-6-14-16(10)15(9-13)19(27)28-18(14)26/h1-9H,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426861
(CHEMBL2323394)Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C16H7Cl2NO5S2/c17-12-6-11(14(18)25-12)26(22,23)19-8-4-7-2-1-3-9-13(7)10(5-8)16(21)24-15(9)20/h1-6,19H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426858
(CHEMBL2323397)Show SMILES O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4nsnc34)cc3cccc1c23 Show InChI InChI=1S/C18H9N3O5S2/c22-17-11-4-1-3-9-7-10(8-12(15(9)11)18(23)26-17)21-28(24,25)14-6-2-5-13-16(14)20-27-19-13/h1-8,21H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426869
(CHEMBL2323385)Show SMILES O=C(Cc1cccs1)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H11NO4S/c20-15(9-12-4-2-6-24-12)19-11-7-10-3-1-5-13-16(10)14(8-11)18(22)23-17(13)21/h1-8H,9H2,(H,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426856
(CHEMBL2323402)Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1c(F)cccc1Cl |(28.77,-31.74,;30.22,-31.29,;31.46,-32.22,;32.73,-31.33,;32.27,-29.85,;30.72,-29.84,;29.44,-29.02,;28.07,-29.69,;29.49,-27.47,;28.15,-26.71,;28.15,-25.18,;26.83,-24.41,;26.83,-22.86,;28.18,-22.09,;25.5,-22.08,;24.17,-22.86,;22.82,-22.1,;24.17,-24.41,;22.84,-25.17,;22.85,-26.71,;24.18,-27.47,;25.49,-26.7,;26.82,-27.48,;25.5,-25.17,;33.04,-28.52,;32.27,-27.17,;30.74,-27.17,;33.05,-25.84,;34.6,-25.84,;35.36,-27.2,;34.58,-28.53,;35.34,-29.87,)| Show InChI InChI=1S/C23H12ClFN2O5/c1-10-17(20(27-32-10)19-15(24)6-3-7-16(19)25)21(28)26-12-8-11-4-2-5-13-18(11)14(9-12)23(30)31-22(13)29/h2-9H,1H3,(H,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426882
(CHEMBL2323381)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C20H10F3NO4/c21-20(22,23)12-6-4-10(5-7-12)17(25)24-13-8-11-2-1-3-14-16(11)15(9-13)19(27)28-18(14)26/h1-9H,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426881
(CHEMBL2323386)Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426870
(CHEMBL2323384)Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C17H8N2O7/c20-15(12-4-5-13(25-12)19(23)24)18-9-6-8-2-1-3-10-14(8)11(7-9)17(22)26-16(10)21/h1-7H,(H,18,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426884
(CHEMBL2323377)Show InChI InChI=1S/C12H7NO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H,13H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426868
(CHEMBL2323387)Show SMILES COC(=O)CCC(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C17H13NO6/c1-23-14(20)6-5-13(19)18-10-7-9-3-2-4-11-15(9)12(8-10)17(22)24-16(11)21/h2-4,7-8H,5-6H2,1H3,(H,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426877
(CHEMBL2323370)Show InChI InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426874
(CHEMBL2323378)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H10N2O6/c22-17(11-4-1-5-13(8-11)21(25)26)20-12-7-10-3-2-6-14-16(10)15(9-12)19(24)27-18(14)23/h1-9H,(H,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426857
(CHEMBL2323398)Show SMILES O=C(Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H11NO6/c22-18(11-4-5-15-16(7-11)26-9-25-15)21-12-6-10-2-1-3-13-17(10)14(8-12)20(24)27-19(13)23/h1-8H,9H2,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426879
(CHEMBL2323400)Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)Nc2cc3C(=O)OC(=O)c4cccc(c2)c34)c1 Show InChI InChI=1S/C22H12F3NO4/c23-22(24,25)14-5-1-3-12(9-14)7-8-18(27)26-15-10-13-4-2-6-16-19(13)17(11-15)21(29)30-20(16)28/h1-11H,(H,26,27)/b8-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426875
(CHEMBL2323374)Show InChI InChI=1S/C16H12O5S/c1-2-20-13(17)8-22-12-7-6-11-14-9(12)4-3-5-10(14)15(18)21-16(11)19/h3-7H,2,8H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426870
(CHEMBL2323384)Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C17H8N2O7/c20-15(12-4-5-13(25-12)19(23)24)18-9-6-8-2-1-3-10-14(8)11(7-9)17(22)26-16(10)21/h1-7H,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426869
(CHEMBL2323385)Show SMILES O=C(Cc1cccs1)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H11NO4S/c20-15(9-12-4-2-6-24-12)19-11-7-10-3-1-5-13-16(10)14(8-11)18(22)23-17(13)21/h1-8H,9H2,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426868
(CHEMBL2323387)Show SMILES COC(=O)CCC(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C17H13NO6/c1-23-14(20)6-5-13(19)18-10-7-9-3-2-4-11-15(9)12(8-10)17(22)24-16(11)21/h2-4,7-8H,5-6H2,1H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426873
(CHEMBL2323379)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H10N2O6/c22-17(10-4-6-13(7-5-10)21(25)26)20-12-8-11-2-1-3-14-16(11)15(9-12)19(24)27-18(14)23/h1-9H,(H,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426873
(CHEMBL2323379)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H10N2O6/c22-17(10-4-6-13(7-5-10)21(25)26)20-12-8-11-2-1-3-14-16(11)15(9-12)19(24)27-18(14)23/h1-9H,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426883
(CHEMBL2323380)Show SMILES Nc1ccc(cc1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H12N2O4/c20-12-6-4-10(5-7-12)17(22)21-13-8-11-2-1-3-14-16(11)15(9-13)19(24)25-18(14)23/h1-9H,20H2,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426871
(CHEMBL2323383)Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H9ClN2O6/c20-14-5-4-10(7-15(14)22(26)27)17(23)21-11-6-9-2-1-3-12-16(9)13(8-11)19(25)28-18(12)24/h1-8H,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426856
(CHEMBL2323402)Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1c(F)cccc1Cl |(28.77,-31.74,;30.22,-31.29,;31.46,-32.22,;32.73,-31.33,;32.27,-29.85,;30.72,-29.84,;29.44,-29.02,;28.07,-29.69,;29.49,-27.47,;28.15,-26.71,;28.15,-25.18,;26.83,-24.41,;26.83,-22.86,;28.18,-22.09,;25.5,-22.08,;24.17,-22.86,;22.82,-22.1,;24.17,-24.41,;22.84,-25.17,;22.85,-26.71,;24.18,-27.47,;25.49,-26.7,;26.82,-27.48,;25.5,-25.17,;33.04,-28.52,;32.27,-27.17,;30.74,-27.17,;33.05,-25.84,;34.6,-25.84,;35.36,-27.2,;34.58,-28.53,;35.34,-29.87,)| Show InChI InChI=1S/C23H12ClFN2O5/c1-10-17(20(27-32-10)19-15(24)6-3-7-16(19)25)21(28)26-12-8-11-4-2-5-13-18(11)14(9-12)23(30)31-22(13)29/h2-9H,1H3,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426876
(CHEMBL2323371)Show InChI InChI=1S/C13H6O5/c14-11(15)7-4-5-9-10-6(7)2-1-3-8(10)12(16)18-13(9)17/h1-5H,(H,14,15) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Article
PubMed
| 2.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426880
(CHEMBL2323399)Show SMILES Clc1ccccc1\C=C\C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H12ClNO4/c22-17-7-2-1-4-12(17)8-9-18(24)23-14-10-13-5-3-6-15-19(13)16(11-14)21(26)27-20(15)25/h1-11H,(H,23,24)/b9-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426847
(CHEMBL2323368)Show InChI InChI=1S/C15H12O2/c1-15(2)13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426872
(CHEMBL2323382)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C20H10F3NO4/c21-20(22,23)12-5-1-4-11(7-12)17(25)24-13-8-10-3-2-6-14-16(10)15(9-13)19(27)28-18(14)26/h1-9H,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426878
(CHEMBL2323401)Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1ccccc1Cl Show InChI InChI=1S/C23H13ClN2O5/c1-11-18(20(26-31-11)14-6-2-3-8-17(14)24)21(27)25-13-9-12-5-4-7-15-19(12)16(10-13)23(29)30-22(15)28/h2-10H,1H3,(H,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426848
(Benzo[De]Isochromen-1(3H)-One | CHEMBL1479195)Show InChI InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
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PDB
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| Article
PubMed
| 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50426881
(CHEMBL2323386)Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human DHFR |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426857
(CHEMBL2323398)Show SMILES O=C(Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H11NO6/c22-18(11-4-5-15-16(7-11)26-9-25-15)21-12-6-10-2-1-3-13-17(10)14(8-12)20(24)27-19(13)23/h1-8H,9H2,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426851
(CHEMBL2323365)Show SMILES [O-][N+](=O)c1ccc(Oc2ccc3c4c(cccc24)c(=O)c3=O)cc1 Show InChI InChI=1S/C18H9NO5/c20-17-13-3-1-2-12-15(9-8-14(16(12)13)18(17)21)24-11-6-4-10(5-7-11)19(22)23/h1-9H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
| Article
PubMed
| >9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426851
(CHEMBL2323365)Show SMILES [O-][N+](=O)c1ccc(Oc2ccc3c4c(cccc24)c(=O)c3=O)cc1 Show InChI InChI=1S/C18H9NO5/c20-17-13-3-1-2-12-15(9-8-14(16(12)13)18(17)21)24-11-6-4-10(5-7-11)19(22)23/h1-9H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426877
(CHEMBL2323370)Show InChI InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50426874
(CHEMBL2323378)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H10N2O6/c22-17(11-4-1-5-13(8-11)21(25)26)20-12-7-10-3-2-6-14-16(10)15(9-12)19(24)27-18(14)23/h1-9H,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human DHFR |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426886
(CHEMBL2323375)Show InChI InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2 | PDB
MMDB
KEGG
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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426886
(CHEMBL2323375)Show InChI InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426885
(CHEMBL2323376)Show InChI InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| >1.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426853
(CHEMBL2323364)Show InChI InChI=1S/C11H6OS/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426882
(CHEMBL2323381)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C20H10F3NO4/c21-20(22,23)12-6-4-10(5-7-12)17(25)24-13-8-11-2-1-3-14-16(11)15(9-13)19(27)28-18(14)26/h1-9H,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426879
(CHEMBL2323400)Show SMILES FC(F)(F)c1cccc(\C=C\C(=O)Nc2cc3C(=O)OC(=O)c4cccc(c2)c34)c1 Show InChI InChI=1S/C22H12F3NO4/c23-22(24,25)14-5-1-3-12(9-14)7-8-18(27)26-15-10-13-4-2-6-16-19(13)17(11-15)21(29)30-20(16)28/h1-11H,(H,26,27)/b8-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >2.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426885
(CHEMBL2323376)Show InChI InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| >2.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426852
(CHEMBL2323363)Show InChI InChI=1S/C11H6O2/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.65E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426849
(CHEMBL2323367)Show InChI InChI=1S/C14H12O/c1-9-5-6-10-7-8-13(15)12-4-2-3-11(9)14(10)12/h2-6H,7-8H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50146058
(Benzo[de]isochromene-1,3-dione | CHEMBL316059)Show InChI InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H | PDB
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CHEMBL
KEGG
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UniChem
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| Article
PubMed
| >2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50425963
(CHEMBL2314369)Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426846
(CHEMBL2323369)Show InChI InChI=1S/C24H16O2/c25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(26-23,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426850
(CHEMBL2323366)Show InChI InChI=1S/C18H11NO/c20-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)19-13-8-2-1-3-9-13/h1-11H/b19-17+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426848
(Benzo[De]Isochromen-1(3H)-One | CHEMBL1479195)Show InChI InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >3.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50425963
(CHEMBL2314369)Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426846
(CHEMBL2323369)Show InChI InChI=1S/C24H16O2/c25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(26-23,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426850
(CHEMBL2323366)Show InChI InChI=1S/C18H11NO/c20-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)19-13-8-2-1-3-9-13/h1-11H/b19-17+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50426856
(CHEMBL2323402)Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1c(F)cccc1Cl |(28.77,-31.74,;30.22,-31.29,;31.46,-32.22,;32.73,-31.33,;32.27,-29.85,;30.72,-29.84,;29.44,-29.02,;28.07,-29.69,;29.49,-27.47,;28.15,-26.71,;28.15,-25.18,;26.83,-24.41,;26.83,-22.86,;28.18,-22.09,;25.5,-22.08,;24.17,-22.86,;22.82,-22.1,;24.17,-24.41,;22.84,-25.17,;22.85,-26.71,;24.18,-27.47,;25.49,-26.7,;26.82,-27.48,;25.5,-25.17,;33.04,-28.52,;32.27,-27.17,;30.74,-27.17,;33.05,-25.84,;34.6,-25.84,;35.36,-27.2,;34.58,-28.53,;35.34,-29.87,)| Show InChI InChI=1S/C23H12ClFN2O5/c1-10-17(20(27-32-10)19-15(24)6-3-7-16(19)25)21(28)26-12-8-11-4-2-5-13-18(11)14(9-12)23(30)31-22(13)29/h2-9H,1H3,(H,26,28) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >3.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human DHFR |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426881
(CHEMBL2323386)Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24) | PDB
MMDB
NCI pathway
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KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >4.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426884
(CHEMBL2323377)Show InChI InChI=1S/C12H7NO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H,13H2 | PDB
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CHEMBL
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PC sid
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| Article
PubMed
| >4.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426844
(CHEMBL2323373)Show InChI InChI=1S/C14H10O4S/c15-6-7-19-11-5-4-10-12-8(11)2-1-3-9(12)13(16)18-14(10)17/h1-5,15H,6-7H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426844
(CHEMBL2323373)Show InChI InChI=1S/C14H10O4S/c15-6-7-19-11-5-4-10-12-8(11)2-1-3-9(12)13(16)18-14(10)17/h1-5,15H,6-7H2 | PDB
MMDB
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >4.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426847
(CHEMBL2323368)Show InChI InChI=1S/C15H12O2/c1-15(2)13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426875
(CHEMBL2323374)Show InChI InChI=1S/C16H12O5S/c1-2-20-13(17)8-22-12-7-6-11-14-9(12)4-3-5-10(14)15(18)21-16(11)19/h3-7H,2,8H2,1H3 | PDB
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >5.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426880
(CHEMBL2323399)Show SMILES Clc1ccccc1\C=C\C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C21H12ClNO4/c22-17-7-2-1-4-12(17)8-9-18(24)23-14-10-13-5-3-6-15-19(13)16(11-14)21(26)27-20(15)25/h1-11H,(H,23,24)/b9-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >6.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50426845
(CHEMBL2323372)Show InChI InChI=1S/C12H6O6S/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11/h1-5H,(H,15,16,17) | PDB
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >7.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426883
(CHEMBL2323380)Show SMILES Nc1ccc(cc1)C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23 Show InChI InChI=1S/C19H12N2O4/c20-12-6-4-10(5-7-12)17(22)21-13-8-11-2-1-3-14-16(11)15(9-13)19(24)25-18(14)23/h1-9H,20H2,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >8.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426845
(CHEMBL2323372)Show InChI InChI=1S/C12H6O6S/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11/h1-5H,(H,15,16,17) | PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >8.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50426878
(CHEMBL2323401)Show SMILES Cc1onc(c1C(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23)-c1ccccc1Cl Show InChI InChI=1S/C23H13ClN2O5/c1-11-18(20(26-31-11)14-6-2-3-8-17(14)24)21(27)25-13-9-12-5-4-7-15-19(12)16(10-13)23(29)30-22(15)28/h2-10H,1H3,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >8.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description
Inhibition of human thymidylate synthase A |
Bioorg Med Chem Lett 23: 663-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ |
More data for this
Ligand-Target Pair | |
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