BDBM33362 cid_5331956::pyrazolethione, 3
SMILES: Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)[N+]([O-])=O
InChI Key: InChIKey=XFZZBPFHMAYBJI-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM33362![]() (cid_5331956 | pyrazolethione, 3) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sortase A (SrtA) (Staphylococcus aureus) | BDBM33362![]() (cid_5331956 | pyrazolethione, 3) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 |