BDBM181080 2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-fluorophenyl)hydrazinecarbothioamide (6)
SMILES: Fc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
InChI Key: InChIKey=XCGOVQXVYGQVNK-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Urease (Canavalia ensiformis (Jack bean) (Horse bean)) | BDBM181080 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-fluorophe...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | 6.8 | 30 |
Universiti Teknologi MARA (UiTM), Puncak Alam Campus | Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con... | Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW | |||||||||||
More data for this Ligand-Target Pair |