BDBM50018479 5-(3-Allyl-4-methoxy-5-propyl-benzyl)-pyrimidine-2,4-diamine::CHEMBL58550::TCMDC-138039
SMILES: CCCc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1OC
InChI Key: InChIKey=VSESKFNACWACPG-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Escherichia coli) | BDBM50018479 (5-(3-Allyl-4-methoxy-5-propyl-benzyl)-pyrimidine-2...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of rat liver dihydrofolate reductase. | J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G | |||||||||||
More data for this Ligand-Target Pair |