Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM114408'   

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
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.94E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM114408 (2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid ...) Show SMILES OC(=O)CSc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H8ClNO2S/c12-7-1-2-8-9(5-7)13-4-3-10(8)16-6-11(14)15/h1-5H,6H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.04E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair