BDBM50247639 CHEMBL4068716
SMILES: CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O
InChI Key: InChIKey=GTHJLNHVDYJCCB-JYRVWZFOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM50247639 (CHEMBL4068716) | PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 498 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL | Assay Description Inhibition of Pseudomonas aeruginosa metallobeta-lactamase-2 expressed in Escherichia coli by fluorogenic assay | J Med Chem 61: 1276-1284 (2018) BindingDB Entry DOI: 10.7270/Q2B27XQN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (Aeromonas hydrophila) | BDBM50247639 (CHEMBL4068716) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate | Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Bacillus cereus) | BDBM50247639 (CHEMBL4068716) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay | Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC | |||||||||||
More data for this Ligand-Target Pair |