BDBM50023905 2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(10-methylfolate)::CHEMBL158990::METHOPTERINE
SMILES: CN(Cc1cnc2nc(N)[nH]c(=O)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=HLIXOCXUWGDBNP-ZDUSSCGKSA-N
Data: 1 KI
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 (Homo sapiens (Human)) | BDBM50023905 (2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmeth...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory constant of thymidylate synthase was determined in human AML cells | J Med Chem 30: 675-8 (1987) BindingDB Entry DOI: 10.7270/Q2G44QW6 | |||||||||||
More data for this Ligand-Target Pair |