Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50037444 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)) | BDBM18808
(2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM18807
(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C13H11N5O3S/c1-6-10(9-11(15-6)16-13(14)17-12(9)19)22-8-4-2-7(3-5-8)18(20)21/h2-5H,1H3,(H4,14,15,16,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165444
(2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165450
(2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-meth...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(Cl)c1 Show InChI InChI=1S/C13H10BrClN4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165454
(4-(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2...)Show InChI InChI=1S/C14H11N5OS/c1-7-11(21-9-4-2-8(6-15)3-5-9)10-12(17-7)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50054514
(2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3,7-dihy...)Show InChI InChI=1S/C12H11N5OS/c1-6-9(19-7-2-4-14-5-3-7)8-10(15-6)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM18795
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165442
(2-Amino-5-(4-bromo-phenylsulfanyl)-6-methyl-3,7-di...)Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165452
(2-Amino-5-(4-chloro-3-nitro-phenylsulfanyl)-6-meth...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10ClN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165438
(2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfan...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N4OS/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)23-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165448
(2-Amino-5-(3-chloro-4-fluoro-phenylsulfanyl)-6-met...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C13H10ClFN4OS/c1-5-10(21-6-2-3-8(15)7(14)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165449
(2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3...)Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165439
(2-Amino-5-(3-bromo-phenylsulfanyl)-6-methyl-3,7-di...)Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165437
(2-Amino-5-(4-fluoro-phenylsulfanyl)-6-methyl-3,7-d...)Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165453
(2-Amino-5-(3-chloro-phenylsulfanyl)-6-methyl-3,7-d...)Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165451
(2-Amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfa...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H11F3N4O2S/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)24-8-4-2-7(3-5-8)23-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165440
(2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165445
(2-Amino-5-(3,5-difluoro-phenylsulfanyl)-6-methyl-3...)Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165442
(2-Amino-5-(4-bromo-phenylsulfanyl)-6-methyl-3,7-di...)Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165446
(2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-d...)Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thymidylate synthase
(Escherichia coli) | BDBM50165444
(2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165447
(2-Amino-5-(3,5-bis-trifluoromethyl-phenylsulfanyl)...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H10F6N4OS/c1-5-10(9-11(23-5)24-13(22)25-12(9)26)27-8-3-6(14(16,17)18)2-7(4-8)15(19,20)21/h2-4H,1H3,(H4,22,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50165451
(2-Amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfa...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H11F3N4O2S/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)24-8-4-2-7(3-5-8)23-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50165443
(2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50165452
(2-Amino-5-(4-chloro-3-nitro-phenylsulfanyl)-6-meth...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10ClN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50165443
(2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50165439
(2-Amino-5-(3-bromo-phenylsulfanyl)-6-methyl-3,7-di...)Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50165440
(2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165447
(2-Amino-5-(3,5-bis-trifluoromethyl-phenylsulfanyl)...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H10F6N4OS/c1-5-10(9-11(23-5)24-13(22)25-12(9)26)27-8-3-6(14(16,17)18)2-7(4-8)15(19,20)21/h2-4H,1H3,(H4,22,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165447
(2-Amino-5-(3,5-bis-trifluoromethyl-phenylsulfanyl)...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H10F6N4OS/c1-5-10(9-11(23-5)24-13(22)25-12(9)26)27-8-3-6(14(16,17)18)2-7(4-8)15(19,20)21/h2-4H,1H3,(H4,22,23,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165444
(2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165450
(2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-meth...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(Cl)c1 Show InChI InChI=1S/C13H10BrClN4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165450
(2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-meth...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(Cl)c1 Show InChI InChI=1S/C13H10BrClN4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165443
(2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165439
(2-Amino-5-(3-bromo-phenylsulfanyl)-6-methyl-3,7-di...)Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165451
(2-Amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfa...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H11F3N4O2S/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)24-8-4-2-7(3-5-8)23-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165442
(2-Amino-5-(4-bromo-phenylsulfanyl)-6-methyl-3,7-di...)Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165452
(2-Amino-5-(4-chloro-3-nitro-phenylsulfanyl)-6-meth...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H10ClN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Escherichia coli) | BDBM50165446
(2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-d...)Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli thymidylate synthase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165438
(2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfan...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N4OS/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)23-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165440
(2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165438
(2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfan...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N4OS/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)23-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165448
(2-Amino-5-(3-chloro-4-fluoro-phenylsulfanyl)-6-met...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C13H10ClFN4OS/c1-5-10(21-6-2-3-8(15)7(14)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165448
(2-Amino-5-(3-chloro-4-fluoro-phenylsulfanyl)-6-met...)Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C13H10ClFN4OS/c1-5-10(21-6-2-3-8(15)7(14)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165449
(2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3...)Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli-Mycobacterium avium) | BDBM50165445
(2-Amino-5-(3,5-difluoro-phenylsulfanyl)-6-methyl-3...)Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against Escherichia coli dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165445
(2-Amino-5-(3,5-difluoro-phenylsulfanyl)-6-methyl-3...)Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165437
(2-Amino-5-(4-fluoro-phenylsulfanyl)-6-methyl-3,7-d...)Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50165453
(2-Amino-5-(3-chloro-phenylsulfanyl)-6-methyl-3,7-d...)Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibitory concentration against human dihydrofolate reductase |
Bioorg Med Chem Lett 15: 2225-30 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.029 BindingDB Entry DOI: 10.7270/Q2ZW1MQH |
More data for this Ligand-Target Pair | |