BDBM50536186 CHEMBL4483572
SMILES: CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccncc1
InChI Key: InChIKey=KEPLBUUTAQCZOE-AWEZNQCLSA-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 (Staphylococcus aureus) | BDBM50536186 (CHEMBL4483572) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut Curated by ChEMBL | Assay Description Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihy... | J Med Chem 59: 6493-500 (2016) Article DOI: 10.1021/acs.jmedchem.6b00688 | |||||||||||
More data for this Ligand-Target Pair |