Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50006246 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
(Homo sapiens (Human)) | BDBM50046660
(2-[4-(2-Amino-6-methyl-4-oxo-3,4-dihydro-quinazoli...)Show SMILES Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H20N4O6S/c1-10-2-7-13-16(19(29)25-21(22)24-13)17(10)32-12-5-3-11(4-6-12)18(28)23-14(20(30)31)8-9-15(26)27/h2-7,14H,8-9H2,1H3,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046665
(2-[4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H21N3O6S/c1-11-3-8-15-18(21(29)24-12(2)23-15)19(11)32-14-6-4-13(5-7-14)20(28)25-16(22(30)31)9-10-17(26)27/h3-8,16H,9-10H2,1-2H3,(H,25,28)(H,26,27)(H,30,31)(H,23,24,29)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 1.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046646
(2-Amino-6-methyl-5-(pyridazin-4-ylsulfanyl)-3H-qui...)Show InChI InChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046657
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046657
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046653
(2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C13H9ClN4OS/c14-8-1-2-9-10(12(19)18-13(15)17-9)11(8)20-7-3-5-16-6-4-7/h1-6H,(H3,15,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046653
(2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C13H9ClN4OS/c14-8-1-2-9-10(12(19)18-13(15)17-9)11(8)20-7-3-5-16-6-4-7/h1-6H,(H3,15,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046654
(2-Amino-6-methyl-5-(2-trifluoromethyl-pyridin-4-yl...)Show SMILES Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N4OS/c1-7-2-3-9-11(13(23)22-14(19)21-9)12(7)24-8-4-5-20-10(6-8)15(16,17)18/h2-6H,1H3,(H3,19,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046654
(2-Amino-6-methyl-5-(2-trifluoromethyl-pyridin-4-yl...)Show SMILES Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N4OS/c1-7-2-3-9-11(13(23)22-14(19)21-9)12(7)24-8-4-5-20-10(6-8)15(16,17)18/h2-6H,1H3,(H3,19,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046651
(2-Amino-5-(2-dimethylamino-pyridin-4-ylsulfanyl)-6...)Show SMILES CN(C)c1cc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)ccn1 Show InChI InChI=1S/C16H17N5OS/c1-9-4-5-11-13(15(22)20-16(17)19-11)14(9)23-10-6-7-18-12(8-10)21(2)3/h4-8H,1-3H3,(H3,17,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046656
(2,6-Dimethyl-5-(2-methyl-pyridin-4-ylsulfanyl)-3H-...)Show InChI InChI=1S/C16H15N3OS/c1-9-4-5-13-14(16(20)19-11(3)18-13)15(9)21-12-6-7-17-10(2)8-12/h4-8H,1-3H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046650
(5-(2-Methoxy-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H...)Show InChI InChI=1S/C16H15N3O2S/c1-9-4-5-12-14(16(20)19-10(2)18-12)15(9)22-11-6-7-17-13(8-11)21-3/h4-8H,1-3H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046657
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046651
(2-Amino-5-(2-dimethylamino-pyridin-4-ylsulfanyl)-6...)Show SMILES CN(C)c1cc(Sc2c(C)ccc3nc(N)[nH]c(=O)c23)ccn1 Show InChI InChI=1S/C16H17N5OS/c1-9-4-5-11-13(15(22)20-16(17)19-11)14(9)23-10-6-7-18-12(8-10)21(2)3/h4-8H,1-3H3,(H3,17,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046646
(2-Amino-6-methyl-5-(pyridazin-4-ylsulfanyl)-3H-qui...)Show InChI InChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046646
(2-Amino-6-methyl-5-(pyridazin-4-ylsulfanyl)-3H-qui...)Show InChI InChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046664
(2,6-Dimethyl-5-(4-nitro-phenylsulfanyl)-3H-quinazo...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)[N+]([O-])=O)c2c(=O)[nH]1 Show InChI InChI=1S/C16H13N3O3S/c1-9-3-8-13-14(16(20)18-10(2)17-13)15(9)23-12-6-4-11(5-7-12)19(21)22/h3-8H,1-2H3,(H,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046655
(5-(2-Dimethylamino-pyridin-4-ylsulfanyl)-2,6-dimet...)Show SMILES CN(C)c1cc(Sc2c(C)ccc3nc(C)[nH]c(=O)c23)ccn1 Show InChI InChI=1S/C17H18N4OS/c1-10-5-6-13-15(17(22)20-11(2)19-13)16(10)23-12-7-8-18-14(9-12)21(3)4/h5-9H,1-4H3,(H,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046648
(2,6-Dimethyl-5-(pyridin-4-ylsulfanyl)-3H-quinazoli...)Show InChI InChI=1S/C15H13N3OS/c1-9-3-4-12-13(15(19)18-10(2)17-12)14(9)20-11-5-7-16-8-6-11/h3-8H,1-2H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046661
(4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-yls...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C17H14N2O3S/c1-9-3-8-13-14(16(20)19-10(2)18-13)15(9)23-12-6-4-11(5-7-12)17(21)22/h3-8H,1-2H3,(H,21,22)(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046656
(2,6-Dimethyl-5-(2-methyl-pyridin-4-ylsulfanyl)-3H-...)Show InChI InChI=1S/C16H15N3OS/c1-9-4-5-13-14(16(20)19-11(3)18-13)15(9)21-12-6-7-17-10(2)8-12/h4-8H,1-3H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046645
(5-(4-Benzenesulfonyl-phenylsulfanyl)-2,6-dimethyl-...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H18N2O3S2/c1-14-8-13-19-20(22(25)24-15(2)23-19)21(14)28-16-9-11-18(12-10-16)29(26,27)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046664
(2,6-Dimethyl-5-(4-nitro-phenylsulfanyl)-3H-quinazo...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)[N+]([O-])=O)c2c(=O)[nH]1 Show InChI InChI=1S/C16H13N3O3S/c1-9-3-8-13-14(16(20)18-10(2)17-13)15(9)23-12-6-4-11(5-7-12)19(21)22/h3-8H,1-2H3,(H,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046655
(5-(2-Dimethylamino-pyridin-4-ylsulfanyl)-2,6-dimet...)Show SMILES CN(C)c1cc(Sc2c(C)ccc3nc(C)[nH]c(=O)c23)ccn1 Show InChI InChI=1S/C17H18N4OS/c1-10-5-6-13-15(17(22)20-11(2)19-13)16(10)23-12-7-8-18-14(9-12)21(3)4/h5-9H,1-4H3,(H,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046659
(2,6-Dimethyl-5-(pyridazin-4-ylsulfanyl)-3H-quinazo...)Show InChI InChI=1S/C14H12N4OS/c1-8-3-4-11-12(14(19)18-9(2)17-11)13(8)20-10-5-6-15-16-7-10/h3-7H,1-2H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046648
(2,6-Dimethyl-5-(pyridin-4-ylsulfanyl)-3H-quinazoli...)Show InChI InChI=1S/C15H13N3OS/c1-9-3-4-12-13(15(19)18-10(2)17-12)14(9)20-11-5-7-16-8-6-11/h3-8H,1-2H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046645
(5-(4-Benzenesulfonyl-phenylsulfanyl)-2,6-dimethyl-...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H18N2O3S2/c1-14-8-13-19-20(22(25)24-15(2)23-19)21(14)28-16-9-11-18(12-10-16)29(26,27)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046659
(2,6-Dimethyl-5-(pyridazin-4-ylsulfanyl)-3H-quinazo...)Show InChI InChI=1S/C14H12N4OS/c1-8-3-4-11-12(14(19)18-9(2)17-11)13(8)20-10-5-6-15-16-7-10/h3-7H,1-2H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046645
(5-(4-Benzenesulfonyl-phenylsulfanyl)-2,6-dimethyl-...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H18N2O3S2/c1-14-8-13-19-20(22(25)24-15(2)23-19)21(14)28-16-9-11-18(12-10-16)29(26,27)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046647
(2,6-Dimethyl-5-(2-trifluoromethyl-pyridin-4-ylsulf...)Show SMILES Cc1nc2ccc(C)c(Sc3ccnc(c3)C(F)(F)F)c2c(=O)[nH]1 Show InChI InChI=1S/C16H12F3N3OS/c1-8-3-4-11-13(15(23)22-9(2)21-11)14(8)24-10-5-6-20-12(7-10)16(17,18)19/h3-7H,1-2H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046657
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046646
(2-Amino-6-methyl-5-(pyridazin-4-ylsulfanyl)-3H-qui...)Show InChI InChI=1S/C13H11N5OS/c1-7-2-3-9-10(12(19)18-13(14)17-9)11(7)20-8-4-5-15-16-6-8/h2-6H,1H3,(H3,14,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046661
(4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-yls...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C17H14N2O3S/c1-9-3-8-13-14(16(20)19-10(2)18-13)15(9)23-12-6-4-11(5-7-12)17(21)22/h3-8H,1-2H3,(H,21,22)(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046666
(6-Ethyl-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046645
(5-(4-Benzenesulfonyl-phenylsulfanyl)-2,6-dimethyl-...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H18N2O3S2/c1-14-8-13-19-20(22(25)24-15(2)23-19)21(14)28-16-9-11-18(12-10-16)29(26,27)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046647
(2,6-Dimethyl-5-(2-trifluoromethyl-pyridin-4-ylsulf...)Show SMILES Cc1nc2ccc(C)c(Sc3ccnc(c3)C(F)(F)F)c2c(=O)[nH]1 Show InChI InChI=1S/C16H12F3N3OS/c1-8-3-4-11-13(15(23)22-9(2)21-11)14(8)24-10-5-6-20-12(7-10)16(17,18)19/h3-7H,1-2H3,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046647
(2,6-Dimethyl-5-(2-trifluoromethyl-pyridin-4-ylsulf...)Show SMILES Cc1nc2ccc(C)c(Sc3ccnc(c3)C(F)(F)F)c2c(=O)[nH]1 Show InChI InChI=1S/C16H12F3N3OS/c1-8-3-4-11-13(15(23)22-9(2)21-11)14(8)24-10-5-6-20-12(7-10)16(17,18)19/h3-7H,1-2H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046656
(2,6-Dimethyl-5-(2-methyl-pyridin-4-ylsulfanyl)-3H-...)Show InChI InChI=1S/C16H15N3OS/c1-9-4-5-13-14(16(20)19-11(3)18-13)15(9)21-12-6-7-17-10(2)8-12/h4-8H,1-3H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046658
(6-Methoxy-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-qui...)Show InChI InChI=1S/C15H13N3O2S/c1-9-17-11-3-4-12(20-2)14(13(11)15(19)18-9)21-10-5-7-16-8-6-10/h3-8H,1-2H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046650
(5-(2-Methoxy-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H...)Show InChI InChI=1S/C16H15N3O2S/c1-9-4-5-12-14(16(20)19-10(2)18-12)15(9)22-11-6-7-17-13(8-11)21-3/h4-8H,1-3H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046650
(5-(2-Methoxy-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H...)Show InChI InChI=1S/C16H15N3O2S/c1-9-4-5-12-14(16(20)19-10(2)18-12)15(9)22-11-6-7-17-13(8-11)21-3/h4-8H,1-3H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046652
(2,6-Dimethyl-5-(pyridin-3-ylsulfanyl)-3H-quinazoli...)Show InChI InChI=1S/C15H13N3OS/c1-9-5-6-12-13(15(19)18-10(2)17-12)14(9)20-11-4-3-7-16-8-11/h3-8H,1-2H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046664
(2,6-Dimethyl-5-(4-nitro-phenylsulfanyl)-3H-quinazo...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)[N+]([O-])=O)c2c(=O)[nH]1 Show InChI InChI=1S/C16H13N3O3S/c1-9-3-8-13-14(16(20)18-10(2)17-13)15(9)23-12-6-4-11(5-7-12)19(21)22/h3-8H,1-2H3,(H,17,18,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046648
(2,6-Dimethyl-5-(pyridin-4-ylsulfanyl)-3H-quinazoli...)Show InChI InChI=1S/C15H13N3OS/c1-9-3-4-12-13(15(19)18-10(2)17-12)14(9)20-11-5-7-16-8-6-11/h3-8H,1-2H3,(H,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046656
(2,6-Dimethyl-5-(2-methyl-pyridin-4-ylsulfanyl)-3H-...)Show InChI InChI=1S/C16H15N3OS/c1-9-4-5-13-14(16(20)19-11(3)18-13)15(9)21-12-6-7-17-10(2)8-12/h4-8H,1-3H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046647
(2,6-Dimethyl-5-(2-trifluoromethyl-pyridin-4-ylsulf...)Show SMILES Cc1nc2ccc(C)c(Sc3ccnc(c3)C(F)(F)F)c2c(=O)[nH]1 Show InChI InChI=1S/C16H12F3N3OS/c1-8-3-4-11-13(15(23)22-9(2)21-11)14(8)24-10-5-6-20-12(7-10)16(17,18)19/h3-7H,1-2H3,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50046666
(6-Ethyl-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quina...)Show InChI InChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046659
(2,6-Dimethyl-5-(pyridazin-4-ylsulfanyl)-3H-quinazo...)Show InChI InChI=1S/C14H12N4OS/c1-8-3-4-11-12(14(19)18-9(2)17-11)13(8)20-10-5-6-15-16-7-10/h3-7H,1-2H3,(H,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046650
(5-(2-Methoxy-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H...)Show InChI InChI=1S/C16H15N3O2S/c1-9-4-5-12-14(16(20)19-10(2)18-12)15(9)22-11-6-7-17-13(8-11)21-3/h4-8H,1-3H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50046664
(2,6-Dimethyl-5-(4-nitro-phenylsulfanyl)-3H-quinazo...)Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)[N+]([O-])=O)c2c(=O)[nH]1 Show InChI InChI=1S/C16H13N3O3S/c1-9-3-8-13-14(16(20)18-10(2)17-13)15(9)23-12-6-4-11(5-7-12)19(21)22/h3-8H,1-2H3,(H,17,18,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified E. coli Thymidylate synthase |
J Med Chem 36: 733-46 (1993)
BindingDB Entry DOI: 10.7270/Q2HM57JF |
More data for this Ligand-Target Pair | |