BDBM50444516 CHEMBL3099580
SMILES: Nc1nc2[nH]c3cccc(Sc4ccccc4)c3c2c(=O)[nH]1
InChI Key: InChIKey=RURPYDOTPJEGPP-UHFFFAOYSA-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 |
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Dihydrofolate reductase (DHFR) (Toxoplasma gondii) | BDBM50444516![]() (CHEMBL3099580) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys... | ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50444516![]() (CHEMBL3099580) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis | ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50444516![]() (CHEMBL3099580) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis | ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P | |||||||||||
More data for this Ligand-Target Pair |