Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM361080'   

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)	BDBM361080 (US10221163, Example 237 | US10544130, Example 237) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C16H16N10O4S2/c1-8(7-17)23-32(29,30)12-6-5-9(10-3-2-4-11-14(10)20-24-19-11)13(15(12)31(18,27)28)16-21-25-26-22-16/h2-6,8,23H,7,17H2,1H3,(H2,18,27,28)/b10-9+/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0130	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)	BDBM361080 (US10221163, Example 237 | US10544130, Example 237) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C16H16N10O4S2/c1-8(7-17)23-32(29,30)12-6-5-9(10-3-2-4-11-14(10)20-24-19-11)13(15(12)31(18,27)28)16-21-25-26-22-16/h2-6,8,23H,7,17H2,1H3,(H2,18,27,28)/b10-9+/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0130	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)	BDBM361080 (US10221163, Example 237 | US10544130, Example 237) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C16H16N10O4S2/c1-8(7-17)23-32(29,30)12-6-5-9(10-3-2-4-11-14(10)20-24-19-11)13(15(12)31(18,27)28)16-21-25-26-22-16/h2-6,8,23H,7,17H2,1H3,(H2,18,27,28)/b10-9+/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	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)	BDBM361080 (US10221163, Example 237 | US10544130, Example 237) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C16H16N10O4S2/c1-8(7-17)23-32(29,30)12-6-5-9(10-3-2-4-11-14(10)20-24-19-11)13(15(12)31(18,27)28)16-21-25-26-22-16/h2-6,8,23H,7,17H2,1H3,(H2,18,27,28)/b10-9+/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	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