Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50033685'   

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 (Enterobacter cloacae)	BDBM50033685 (CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033685 (CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033685 (CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presenc...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093 BindingDB Entry DOI: 10.7270/Q2M90CXZ
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033685 (CHEMBL8290 | Sodium; (2R,5R)-3-[2-hydroxy-eth-(Z)-...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectro...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093 BindingDB Entry DOI: 10.7270/Q2M90CXZ
					More data for this Ligand-Target Pair