Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM360922'   

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)	BDBM360922 ((S)-benzyl tert-butyl (3-(2-(N,N- bis(4-methoxyben...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C47H53IN8O11S2/c1-47(2,3)67-46(58)51-36(26-49-45(57)66-31-35-10-8-7-9-11-35)27-50-68(59,60)41-25-24-40(48)42(44-52-54-56(53-44)30-34-16-22-39(65-6)23-17-34)43(41)69(61,62)55(28-32-12-18-37(63-4)19-13-32)29-33-14-20-38(64-5)21-15-33/h7-25,36,50H,26-31H2,1-6H3,(H,49,57)(H,51,58)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					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 ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360922 ((S)-benzyl tert-butyl (3-(2-(N,N- bis(4-methoxyben...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C47H53IN8O11S2/c1-47(2,3)67-46(58)51-36(26-49-45(57)66-31-35-10-8-7-9-11-35)27-50-68(59,60)41-25-24-40(48)42(44-52-54-56(53-44)30-34-16-22-39(65-6)23-17-34)43(41)69(61,62)55(28-32-12-18-37(63-4)19-13-32)29-33-14-20-38(64-5)21-15-33/h7-25,36,50H,26-31H2,1-6H3,(H,49,57)(H,51,58)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM360922 ((S)-benzyl tert-butyl (3-(2-(N,N- bis(4-methoxyben...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C47H53IN8O11S2/c1-47(2,3)67-46(58)51-36(26-49-45(57)66-31-35-10-8-7-9-11-35)27-50-68(59,60)41-25-24-40(48)42(44-52-54-56(53-44)30-34-16-22-39(65-6)23-17-34)43(41)69(61,62)55(28-32-12-18-37(63-4)19-13-32)29-33-14-20-38(64-5)21-15-33/h7-25,36,50H,26-31H2,1-6H3,(H,49,57)(H,51,58)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.234	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					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 ...				US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM360922 ((S)-benzyl tert-butyl (3-(2-(N,N- bis(4-methoxyben...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C47H53IN8O11S2/c1-47(2,3)67-46(58)51-36(26-49-45(57)66-31-35-10-8-7-9-11-35)27-50-68(59,60)41-25-24-40(48)42(44-52-54-56(53-44)30-34-16-22-39(65-6)23-17-34)43(41)69(61,62)55(28-32-12-18-37(63-4)19-13-32)29-33-14-20-38(64-5)21-15-33/h7-25,36,50H,26-31H2,1-6H3,(H,49,57)(H,51,58)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.234	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					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 ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair