Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50421214'   

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)	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 (Pseudomonas aeruginosa)	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 MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 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