BDBM50022390 2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pteridin-6-yl)-ethylamino]-benzoylamino}-pentanedioic acid::CHEMBL37062
SMILES: Nc1nc2NCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
InChI Key: InChIKey=SVEJTXIHPDUQLZ-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 (Escherichia coli) | BDBM50022390 (2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pter...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibitory activity against thymidylate synthase of Escherichia coli | J Med Chem 31: 150-3 (1988) BindingDB Entry DOI: 10.7270/Q2GX4C44 | |||||||||||
More data for this Ligand-Target Pair |