BDBM50005863 2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid::CHEMBL39175
SMILES: Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=DEZOURQTRLKTPD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Folylpoly-gamma-glutamate synthetase (Mus musculus) | BDBM50005863 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 5.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description In vitro inhibition of mouse liver Folyl-polyglutamate synthase | J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50005863 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description In vitro inhibition of human thymidylate synthase (TS) | J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50005863 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description In vitro inhibition of human dihydrofolate reductase (DHFR) | J Med Chem 35: 1578-88 (1992) BindingDB Entry DOI: 10.7270/Q2028S6J | |||||||||||
More data for this Ligand-Target Pair |