Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM361239'   

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)	BDBM361239 (US10221163, Example 396 | US10544130, Example 396) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C17H17FN10O4S2/c1-7(6-19)26-34(31,32)12-3-2-9(10-4-8(18)5-11-14(10)23-17(20)22-11)13(15(12)33(21,29)30)16-24-27-28-25-16/h2-5,7,26H,6,19H2,1H3,(H2,20,22)(H2,21,29,30)/b10-9+/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0270	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)	BDBM361239 (US10221163, Example 396 | US10544130, Example 396) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C17H17FN10O4S2/c1-7(6-19)26-34(31,32)12-3-2-9(10-4-8(18)5-11-14(10)23-17(20)22-11)13(15(12)33(21,29)30)16-24-27-28-25-16/h2-5,7,26H,6,19H2,1H3,(H2,20,22)(H2,21,29,30)/b10-9+/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0270	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)	BDBM361239 (US10221163, Example 396 | US10544130, Example 396) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C17H17FN10O4S2/c1-7(6-19)26-34(31,32)12-3-2-9(10-4-8(18)5-11-14(10)23-17(20)22-11)13(15(12)33(21,29)30)16-24-27-28-25-16/h2-5,7,26H,6,19H2,1H3,(H2,20,22)(H2,21,29,30)/b10-9+/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.221	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)	BDBM361239 (US10221163, Example 396 | US10544130, Example 396) Show SMILES C[C@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C17H17FN10O4S2/c1-7(6-19)26-34(31,32)12-3-2-9(10-4-8(18)5-11-14(10)23-17(20)22-11)13(15(12)33(21,29)30)16-24-27-28-25-16/h2-5,7,26H,6,19H2,1H3,(H2,20,22)(H2,21,29,30)/b10-9+/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.221	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