BDBM50161779 (S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino)-3-[4-(5-dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-propionic acid::CHEMBL176072::Dansyl derivative, DDT, 1L::Dansyl derivatives 18A, (R) isomer::Dansyltyrosine deriviative 21B::N,O-DIDANSYL-L-TYROSINE::N,O-diansyl-L-tyrosine
SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O
InChI Key: InChIKey=LUBOPDUYHWABFG-NDEPHWFRSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia via Campi 183 | Assay Description All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase... | Chembiochem 9: 779-90 (2008) Article DOI: 10.1002/cbic.200700524 BindingDB Entry DOI: 10.7270/Q2PG1Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibitory constant against thymidylate synthase from Lactobacillus casei | J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibitory constant against thymidylate synthase from Escherichia coli | J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate Synthase (TS) (Escherichia coli) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia via Campi 183 | Assay Description All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase... | Chembiochem 9: 779-90 (2008) Article DOI: 10.1002/cbic.200700524 BindingDB Entry DOI: 10.7270/Q2PG1Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibitory constant against human thymidylate synthase | J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Escherichia coli) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco | Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors | Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco | Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors | Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | 7.4 | 20 |
Northwestern University | Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe... | Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 20 |
Northwestern University | Assay Description The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe... | Chem Biol 6: 319-31 (1999) Article DOI: 10.1016/S1074-5521(99)80077-5 BindingDB Entry DOI: 10.7270/Q2S180VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50161779 ((S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco | Assay Description Affinity assay of specificities of thymidylate synthase (TS)inhibitors | Chem Biol 8: 981-95 (2001) Article DOI: 10.1016/S1074-5521(01)00067-9 BindingDB Entry DOI: 10.7270/Q24M92XD | |||||||||||
More data for this Ligand-Target Pair |