Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50335803'   

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 (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Progress curves for slow-binding inhibition analysis were obtained by adding nitrocefin (final concentration 36 μM) to a solution containing enz...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.59E+5	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.35E+5	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Cc1occc(=S)c1O Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.67E+5	n/a	n/a	n/a	n/a	7.0	n/a
Baylor University					Assay Description Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...				J Enzyme Inhib Med Chem 28: 137-42 (2013) Article DOI: 10.3109/14756366.2011.640632 BindingDB Entry DOI: 10.7270/Q26T0KHH
					More data for this Ligand-Target Pair