BDBM50130829 CHEMBL1164::Dimocillin sodium::METHICILLIN SODIUM::Meticillin sodium::Meticillin sodium salt::methicillin sodium::sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate::sodium 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylate::sodium 6beta-(2,6-dimethoxybenzamido)penicillanate
SMILES: COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
InChI Key: InChIKey=RJQXTJLFIWVMTO-TYNCELHUSA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NH(3)-dependent NAD(+) synthetase (Bacillus subtilis) | BDBM50130829 (CHEMBL1164 | Dimocillin sodium | METHICILLIN SODIU...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham Curated by ChEMBL | Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase | J Med Chem 46: 3371-81 (2003) Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q | |||||||||||
More data for this Ligand-Target Pair |