Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data   

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   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	27	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   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against AmpC beta-lactamase				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of buffer				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Amp C beta-Lactamase				J Med Chem 46: 4265-72 (2003) Article DOI: 10.1021/jm030266r BindingDB Entry DOI: 10.7270/Q29C6Z59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase   (357/358 > 99%)† (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of buffer				J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD
					More data for this Ligand-Target Pair				3D Structure (crystal)

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