Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50129568'   

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)	BDBM50129568 ((2S,5R,6S)-2'-(cyclohexyloxy)-3,3-dimethyl-7-oxo-4...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C16H23NO6S/c1-15(2)11(12(18)19)17-13(20)16(14(17)24(15,21)22)8-10(16)23-9-6-4-3-5-7-9/h9-11,14H,3-8H2,1-2H3,(H,18,19)/t10-,11-,14+,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme				J Med Chem 46: 2569-71 (2003) Article DOI: 10.1021/jm034056q BindingDB Entry DOI: 10.7270/Q2W66K59
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50129568 ((2S,5R,6S)-2'-(cyclohexyloxy)-3,3-dimethyl-7-oxo-4...) Show SMILES CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C16H23NO6S/c1-15(2)11(12(18)19)17-13(20)16(14(17)24(15,21)22)8-10(16)23-9-6-4-3-5-7-9/h9-11,14H,3-8H2,1-2H3,(H,18,19)/t10-,11-,14+,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Beta-lactamase AmpC of class C enzyme				J Med Chem 46: 2569-71 (2003) Article DOI: 10.1021/jm034056q BindingDB Entry DOI: 10.7270/Q2W66K59
					More data for this Ligand-Target Pair