Found 10 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-lactamase
(Proteus mirabilis) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 7.91 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 21.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase SHV-1
(Klebsiella pneumoniae (Enterobacteria)) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 26.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase BRO-1
(Moraxella catarrhalis) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 65.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 65.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Staphylococcus aureus) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Klebsiella oxytoca) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase OXA-1
(Escherichia coli (Enterobacteria)) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 5.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Citrobacter freundii) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 4.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99 |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this Ligand-Target Pair | |