BDBM50023908 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL161567
SMILES: Nc1nc(N)c2nc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
InChI Key: InChIKey=GVOLBCKIYMYHBJ-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50023908 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-ethynyl-am...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against human thymidylate synthase derived either from HeLa or KB cells | J Med Chem 30: 675-8 (1987) BindingDB Entry DOI: 10.7270/Q2G44QW6 | |||||||||||
More data for this Ligand-Target Pair |