Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM360919'   

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)	BDBM360919 ((S)-tert-butyl (3-(2-(N,N-bis(4- methoxybenzyl)sul...) 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](O)CNC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C39H46IN7O10S2/c1-39(2,3)57-38(49)41-21-29(48)22-42-58(50,51)34-20-19-33(40)35(37-43-45-47(44-37)25-28-11-17-32(56-6)18-12-28)36(34)59(52,53)46(23-26-7-13-30(54-4)14-8-26)24-27-9-15-31(55-5)16-10-27/h7-20,29,42,48H,21-25H2,1-6H3,(H,41,49)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0210	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)	BDBM360919 ((S)-tert-butyl (3-(2-(N,N-bis(4- methoxybenzyl)sul...) 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](O)CNC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C39H46IN7O10S2/c1-39(2,3)57-38(49)41-21-29(48)22-42-58(50,51)34-20-19-33(40)35(37-43-45-47(44-37)25-28-11-17-32(56-6)18-12-28)36(34)59(52,53)46(23-26-7-13-30(54-4)14-8-26)24-27-9-15-31(55-5)16-10-27/h7-20,29,42,48H,21-25H2,1-6H3,(H,41,49)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0210	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)	BDBM360919 ((S)-tert-butyl (3-(2-(N,N-bis(4- methoxybenzyl)sul...) 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](O)CNC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C39H46IN7O10S2/c1-39(2,3)57-38(49)41-21-29(48)22-42-58(50,51)34-20-19-33(40)35(37-43-45-47(44-37)25-28-11-17-32(56-6)18-12-28)36(34)59(52,53)46(23-26-7-13-30(54-4)14-8-26)24-27-9-15-31(55-5)16-10-27/h7-20,29,42,48H,21-25H2,1-6H3,(H,41,49)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.158	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)	BDBM360919 ((S)-tert-butyl (3-(2-(N,N-bis(4- methoxybenzyl)sul...) 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](O)CNC(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C39H46IN7O10S2/c1-39(2,3)57-38(49)41-21-29(48)22-42-58(50,51)34-20-19-33(40)35(37-43-45-47(44-37)25-28-11-17-32(56-6)18-12-28)36(34)59(52,53)46(23-26-7-13-30(54-4)14-8-26)24-27-9-15-31(55-5)16-10-27/h7-20,29,42,48H,21-25H2,1-6H3,(H,41,49)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.158	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