Compile Data Set for Download or QSAR

Found 28 hits of affinity data for UniProtKB/TrEMBL: Q93T40   

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)	BDBM50421214 (CHEMBL2087633) Show SMILES Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:8| Show InChI InChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5,11H2,(H,13,14)/t8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	BDBM50421214 (CHEMBL2087633) Show SMILES Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:8| Show InChI InChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5,11H2,(H,13,14)/t8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Bacillus anthracis)	BDBM50421216 (CHEMBL2087635) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:15| Show InChI InChI=1S/C15H18N2O4S/c1-15(2,3)21-14(20)16-10-6-4-5-9(7-10)12-17-11(8-22-12)13(18)19/h4-7,11H,8H2,1-3H3,(H,16,20)(H,18,19)/t11-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					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)	BDBM50421223 (CHEMBL2087630) Show SMILES OC(=O)[C@@H]1CSC(Cc2ccccc2)N1 |r| Show InChI InChI=1S/C11H13NO2S/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421219 (CHEMBL2087637) Show SMILES CC(C)(C)OC(=O)NCC1=N[C@@H](CS1)C(O)=O |r,t:9| Show InChI InChI=1S/C10H16N2O4S/c1-10(2,3)16-9(15)11-4-7-12-6(5-17-7)8(13)14/h6H,4-5H2,1-3H3,(H,11,15)(H,13,14)/t6-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421218 (CHEMBL2087636) Show SMILES COc1cccc(CC(=O)NCC2=N[C@@H](CS2)C(O)=O)c1 |r,t:12| Show InChI InChI=1S/C14H16N2O4S/c1-20-10-4-2-3-9(5-10)6-12(17)15-7-13-16-11(8-21-13)14(18)19/h2-5,11H,6-8H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421217 (CHEMBL2086406) Show SMILES OC(=O)[C@@H]1CSC(CNC(=O)Cc2ccccc2)=N1 |r,c:18| Show InChI InChI=1S/C13H14N2O3S/c16-11(6-9-4-2-1-3-5-9)14-7-12-15-10(8-19-12)13(17)18/h1-5,10H,6-8H2,(H,14,16)(H,17,18)/t10-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421215 (CHEMBL2087634) Show SMILES CC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:11| Show InChI InChI=1S/C12H12N2O3S/c1-7(15)13-9-4-2-3-8(5-9)11-14-10(6-18-11)12(16)17/h2-5,10H,6H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421221 (CHEMBL1722922) Show SMILES OC(=O)c1csc(Cc2ccccc2)n1 Show InChI InChI=1S/C11H9NO2S/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421226 (CHEMBL79962) Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1O |r,c:6| Show InChI InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421227 (CHEMBL2087638) Show SMILES OC(=O)[C@@H]1CSC(CNC(=O)OCc2ccccc2)=N1 |r,c:19| Show InChI InChI=1S/C13H14N2O4S/c16-12(17)10-8-20-11(15-10)6-14-13(18)19-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421225 (CHEMBL2087632) Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccc(Br)cc1 |r,c:6| Show InChI InChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM63710 (2-phenyl-1,3-thiazole-4-carboxylic acid | 2-phenyl...) Show SMILES OC(=O)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C10H7NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421228 (CHEMBL2087323) Show SMILES OC(=O)[C@@H]1CSC(Cc2ccccc2)=N1 |r,c:14| Show InChI InChI=1S/C11H11NO2S/c13-11(14)9-7-15-10(12-9)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)/t9-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421220 (CHEMBL2087628) Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1 |r,c:6| Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421222 (CHEMBL2087629) Show SMILES OC(=O)[C@H]1CSC(=N1)c1ccccc1 |r,c:6| Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421224 (CHEMBL154191) Show SMILES OC(=O)[C@@H]1CSC(N1)c1ccccc1 |r| Show InChI InChI=1S/C10H11NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)/t8-,9?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50421229 (CHEMBL2087631) Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccc(Cl)cc1 |r,c:6| Show InChI InChI=1S/C10H8ClNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					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
Beta-lactamase (Bacillus anthracis)	BDBM50330325 (2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetr...) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Show InChI InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+6	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair