BDBM50331835 5-(2-methyl-propylamido)-2-sulfamoyl-1,3,4-thiadiazole::CHEMBL1288807
SMILES: CC(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
InChI Key: InChIKey=DVZGQBMHOJKRPI-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chitinase (chiA1) (Neosartorya fumigata (Aspergillus fumigatus)) | BDBM50331835 (5-(2-methyl-propylamido)-2-sulfamoyl-1,3,4-thiadia...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins | Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |