BDBM50027975 5-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-methoxy-phenoxy]-pentanoic acid::CHEMBL31924
SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OCCCCC(O)=O)c1Br
InChI Key: InChIKey=KRCWWXNWWWXXLR-UHFFFAOYSA-N
Data: 2 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) | BDBM50027975 (5-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uniroyal Chemical Co., Inc. Curated by ChEMBL | Assay Description Inhibition constant against binding of Escherichia coli dihydrofolate reductase | J Med Chem 31: 1396-406 (1988) BindingDB Entry DOI: 10.7270/Q2P55QQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50027975 (5-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition constant of compound against L. casei Dihydrofolate reductase | J Med Chem 27: 1672-6 (1985) BindingDB Entry DOI: 10.7270/Q2G73CQG | |||||||||||
More data for this Ligand-Target Pair |