BDBM367839 (2-amino-3- cyanophenyl) boronic acid::US10227331, Example 26::US10544130, Example 11
SMILES: Nc1c(cccc1B(O)O)C#N
InChI Key: InChIKey=HCBQCTAFMHAHIT-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Metallo-beta-lactamase type 2 (Serratia marcescens) | BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase NDM-1 (Klebsiella pneumoniae) | BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase () | BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Serratia marcescens) | BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.105 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase NDM-1 (Klebsiella pneumoniae) | BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
VIM-1 (Pseudomonas aeruginosa) | BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ... | J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD | |||||||||||
More data for this Ligand-Target Pair |