Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM367893'   

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)	BDBM367893 ((R)-benzyl tert-butyl (3-((2- (N,N-bis(4- methoxyb...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C47H52IN7O11S2/c1-47(2,3)66-45(56)49-26-36(50-46(57)65-30-35-10-8-7-9-11-35)31-67(58,59)41-25-24-40(48)42(44-51-53-55(52-44)29-34-16-22-39(64-6)23-17-34)43(41)68(60,61)54(27-32-12-18-37(62-4)19-13-32)28-33-14-20-38(63-5)21-15-33/h7-25,36H,26-31H2,1-6H3,(H,49,56)(H,50,57)/t36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM367893 ((R)-benzyl tert-butyl (3-((2- (N,N-bis(4- methoxyb...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C47H52IN7O11S2/c1-47(2,3)66-45(56)49-26-36(50-46(57)65-30-35-10-8-7-9-11-35)31-67(58,59)41-25-24-40(48)42(44-51-53-55(52-44)29-34-16-22-39(64-6)23-17-34)43(41)68(60,61)54(27-32-12-18-37(62-4)19-13-32)28-33-14-20-38(63-5)21-15-33/h7-25,36H,26-31H2,1-6H3,(H,49,56)(H,50,57)/t36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0850	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair