BDBM50115618 2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-carbamoyl)-methyleneaminooxy]-2-methyl-propionic acid::CHEMBL324887
SMILES: CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O
InChI Key: InChIKey=ZECCQELUYUPTSB-GIDUJCDVSA-M
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-lactamase AmpC (Escherichia coli) | BDBM50115618 (2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli | J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M | |||||||||||
More data for this Ligand-Target Pair |