Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM361172'   

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)	BDBM361172 (4-(2-Amino-7-methyl-1H-benzo[d]imidazol-4-yl)-N1-(...) Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)NCCN)c2nc(N)[nH]c12 Show InChI InChI=1S/C17H20N10O4S2/c1-8-2-3-10(14-13(8)22-17(19)23-14)9-4-5-11(33(30,31)21-7-6-18)15(32(20,28)29)12(9)16-24-26-27-25-16/h2-5,21H,6-7,18H2,1H3,(H3,19,22,23)(H2,20,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0150	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)	BDBM361172 (4-(2-Amino-7-methyl-1H-benzo[d]imidazol-4-yl)-N1-(...) Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)NCCN)c2nc(N)[nH]c12 Show InChI InChI=1S/C17H20N10O4S2/c1-8-2-3-10(14-13(8)22-17(19)23-14)9-4-5-11(33(30,31)21-7-6-18)15(32(20,28)29)12(9)16-24-26-27-25-16/h2-5,21H,6-7,18H2,1H3,(H3,19,22,23)(H2,20,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0150	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)	BDBM361172 (4-(2-Amino-7-methyl-1H-benzo[d]imidazol-4-yl)-N1-(...) Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)NCCN)c2nc(N)[nH]c12 Show InChI InChI=1S/C17H20N10O4S2/c1-8-2-3-10(14-13(8)22-17(19)23-14)9-4-5-11(33(30,31)21-7-6-18)15(32(20,28)29)12(9)16-24-26-27-25-16/h2-5,21H,6-7,18H2,1H3,(H3,19,22,23)(H2,20,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.128	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)	BDBM361172 (4-(2-Amino-7-methyl-1H-benzo[d]imidazol-4-yl)-N1-(...) Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)NCCN)c2nc(N)[nH]c12 Show InChI InChI=1S/C17H20N10O4S2/c1-8-2-3-10(14-13(8)22-17(19)23-14)9-4-5-11(33(30,31)21-7-6-18)15(32(20,28)29)12(9)16-24-26-27-25-16/h2-5,21H,6-7,18H2,1H3,(H3,19,22,23)(H2,20,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.128	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