BDBM50335532 (E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-ethylphthalazin-2(1H)-yl)prop-2-en-1-one::CHEMBL1652303
SMILES: CC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChI Key: InChIKey=XIZZHFSPMWESTN-GLCJEOIMSA-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 (DHFR) (Bacillus anthracis) | BDBM50335532 ((E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-d...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Oklahoma State University Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis DHFR | Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |