BDBM50115616 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID::4-Benzenesulfonyl-thiophene-2-sulfonic acid (3-dihydroxyboranyl-phenyl)-amide::Amide and sulfonamide derivatives, 2::Aza-boronic acid derivative::CHEMBL113381
SMILES: OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
InChI Key: InChIKey=YZOKHYPIQNIFRQ-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-lactamase AmpC (Escherichia coli) | BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University | Assay Description Inhibition assay against beta lactamase enzymes. | Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase | Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB PubMed | 80 | 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 | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University | Assay Description Inhibition assay against beta lactamase enzymes. | Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University | Assay Description Inhibition assay against beta lactamase enzymes. | Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (TEM-1) (Escherichia coli) | BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 5.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University | Assay Description Inhibition assay against beta lactamase enzymes. | Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ | |||||||||||
More data for this Ligand-Target Pair |