BDBM50023713 5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid::CHEMBL27109
SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1
InChI Key: InChIKey=VAAIPUDWNISVQB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50023713 (5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells | J Med Chem 31: 1332-7 (1988) BindingDB Entry DOI: 10.7270/Q2697454 | |||||||||||
More data for this Ligand-Target Pair |