Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50030288   

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 OXA-10 (Pseudomonas aeruginosa)	BDBM50293713 (CHEMBL553476 | Tribenzyl 2-(2-phenoxyacetamido)ami...) Show SMILES O=C(COc1ccccc1)NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C35H33NO8/c37-31(26-41-30-19-11-4-12-20-30)36-35(34(40)44-25-29-17-9-3-10-18-29,21-32(38)42-23-27-13-5-1-6-14-27)22-33(39)43-24-28-15-7-2-8-16-28/h1-20H,21-26H2,(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Beta-lactamase OXA-10 (Pseudomonas aeruginosa)	BDBM50293712 (CHEMBL561821 | Tribenzyl 2-aminopropane-1,2,3-tric...) Show SMILES NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27NO6/c28-27(26(31)34-20-23-14-8-3-9-15-23,16-24(29)32-18-21-10-4-1-5-11-21)17-25(30)33-19-22-12-6-2-7-13-22/h1-15H,16-20,28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inactivation of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus licheniformis)	BDBM50244091 (1,2-Dicarboxy-1-carboxymethyl-ethyl-ammonium chlor...) Show SMILES [NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Competitive inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus licheniformis)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Bacillus licheniformis)	BDBM50244093 (1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...) Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair