Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM361114'   

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)	BDBM361114 ((R)-4-(4-(N-(pyrrolidin-3-yl)sulfamoyl)-3-sulfamoy...) Show SMILES NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r| Show InChI InChI=1S/C19H18N10O5S2/c20-17(30)19-23-12-3-1-2-11(15(12)24-19)10-4-5-13(36(33,34)27-9-6-7-22-8-9)16(35(21,31)32)14(10)18-25-28-29-26-18/h1-5,9,22,27H,6-8H2,(H2,20,30)(H2,21,31,32)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	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)	BDBM361114 ((R)-4-(4-(N-(pyrrolidin-3-yl)sulfamoyl)-3-sulfamoy...) Show SMILES NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r| Show InChI InChI=1S/C19H18N10O5S2/c20-17(30)19-23-12-3-1-2-11(15(12)24-19)10-4-5-13(36(33,34)27-9-6-7-22-8-9)16(35(21,31)32)14(10)18-25-28-29-26-18/h1-5,9,22,27H,6-8H2,(H2,20,30)(H2,21,31,32)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	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)	BDBM361114 ((R)-4-(4-(N-(pyrrolidin-3-yl)sulfamoyl)-3-sulfamoy...) Show SMILES NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r| Show InChI InChI=1S/C19H18N10O5S2/c20-17(30)19-23-12-3-1-2-11(15(12)24-19)10-4-5-13(36(33,34)27-9-6-7-22-8-9)16(35(21,31)32)14(10)18-25-28-29-26-18/h1-5,9,22,27H,6-8H2,(H2,20,30)(H2,21,31,32)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.271	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)	BDBM361114 ((R)-4-(4-(N-(pyrrolidin-3-yl)sulfamoyl)-3-sulfamoy...) Show SMILES NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r| Show InChI InChI=1S/C19H18N10O5S2/c20-17(30)19-23-12-3-1-2-11(15(12)24-19)10-4-5-13(36(33,34)27-9-6-7-22-8-9)16(35(21,31)32)14(10)18-25-28-29-26-18/h1-5,9,22,27H,6-8H2,(H2,20,30)(H2,21,31,32)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.271	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