BDBM50192869 CIS-3,4-DIHYDROHAMACANTHIN B
SMILES: Brc1ccc2c(c[nH]c2c1)[C@@H]1CNC(=O)[C@@H](N1)c1c[nH]c2cc(Br)ccc12
InChI Key: InChIKey=OXVVLWOQGFZGEO-OALUTQOASA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pyruvate kinase (Staphylococcus aureus (strain MRSA252)) | BDBM50192869 (CIS-3,4-DIHYDROHAMACANTHIN B) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Simon Fraser University Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2... | Eur J Med Chem 125: 1-13 (2017) Article DOI: 10.1016/j.ejmech.2016.09.018 BindingDB Entry DOI: 10.7270/Q2CC12P0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Pyruvate kinase (Staphylococcus aureus (strain MRSA252)) | BDBM50192869 (CIS-3,4-DIHYDROHAMACANTHIN B) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Christian-Albrechts-University of Kiel Curated by ChEMBL | Assay Description Inhibition of methicillin-resistant Staphylococcus aureus pyruvate kinase by coupled lactate dehydrogenase continuous assay | J Med Chem 58: 170-82 (2015) Article DOI: 10.1021/jm500373x BindingDB Entry DOI: 10.7270/Q2ZG6V0R | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |