Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM361042'   

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)	BDBM361042 (N1-(2-aminoethyl)-4-(1H-benzo[d]imidazol-4-yl)-3-(...) Show SMILES NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C16H17N9O4S2/c17-6-7-21-31(28,29)12-5-4-9(10-2-1-3-11-14(10)20-8-19-11)13(15(12)30(18,26)27)16-22-24-25-23-16/h1-5,8,21H,6-7,17H2,(H,19,20)(H2,18,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	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)	BDBM361042 (N1-(2-aminoethyl)-4-(1H-benzo[d]imidazol-4-yl)-3-(...) Show SMILES NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C16H17N9O4S2/c17-6-7-21-31(28,29)12-5-4-9(10-2-1-3-11-14(10)20-8-19-11)13(15(12)30(18,26)27)16-22-24-25-23-16/h1-5,8,21H,6-7,17H2,(H,19,20)(H2,18,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	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)	BDBM361042 (N1-(2-aminoethyl)-4-(1H-benzo[d]imidazol-4-yl)-3-(...) Show SMILES NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C16H17N9O4S2/c17-6-7-21-31(28,29)12-5-4-9(10-2-1-3-11-14(10)20-8-19-11)13(15(12)30(18,26)27)16-22-24-25-23-16/h1-5,8,21H,6-7,17H2,(H,19,20)(H2,18,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.102	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)	BDBM361042 (N1-(2-aminoethyl)-4-(1H-benzo[d]imidazol-4-yl)-3-(...) Show SMILES NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C16H17N9O4S2/c17-6-7-21-31(28,29)12-5-4-9(10-2-1-3-11-14(10)20-8-19-11)13(15(12)30(18,26)27)16-22-24-25-23-16/h1-5,8,21H,6-7,17H2,(H,19,20)(H2,18,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.102	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