BDBM33308 rhodanine, 1-9
SMILES: CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
InChI Key: InChIKey=JOLSMVHQAFFNTB-PTNGSMBKSA-N
Data: 2 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sortase A (SrtA) (Bacillus anthracis) | BDBM33308 (rhodanine, 1-9) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of California at Los Angeles | Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ... | Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sortase A (SrtA) (Staphylococcus aureus) | BDBM33308 (rhodanine, 1-9) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.86E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of California at Los Angeles | Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ... | Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0 | |||||||||||
More data for this Ligand-Target Pair |