BDBM361068 (R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-(1H-1,2,4-triazol-3- yl)-[1,1'-biphenyl]-3,4-disulfonamide::US10221163, Example 225::US10544130, Example 225

SMILES: NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1

InChI Key: InChIKey=QHJWADHROHWYDE-CYBMUJFWSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 361068   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM361068 ((R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 Show InChI InChI=1S/C19H20N10O4S2/c20-34(30,31)17-15(35(32,33)27-13-6-7-21-9-13)5-4-14(16(17)19-25-28-29-26-19)11-2-1-3-12(8-11)18-22-10-23-24-18/h1-5,8,10,13,21,27H,6-7,9H2,(H2,20,30,31)(H,22,23,24)(H,25,26,28,29)/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM361068 ((R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 Show InChI InChI=1S/C19H20N10O4S2/c20-34(30,31)17-15(35(32,33)27-13-6-7-21-9-13)5-4-14(16(17)19-25-28-29-26-19)11-2-1-3-12(8-11)18-22-10-23-24-18/h1-5,8,10,13,21,27H,6-7,9H2,(H2,20,30,31)(H,22,23,24)(H,25,26,28,29)/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Beta-lactamase ()	BDBM361068 ((R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 Show InChI InChI=1S/C19H20N10O4S2/c20-34(30,31)17-15(35(32,33)27-13-6-7-21-9-13)5-4-14(16(17)19-25-28-29-26-19)11-2-1-3-12(8-11)18-22-10-23-24-18/h1-5,8,10,13,21,27H,6-7,9H2,(H2,20,30,31)(H,22,23,24)(H,25,26,28,29)/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0560	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)	BDBM361068 ((R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 Show InChI InChI=1S/C19H20N10O4S2/c20-34(30,31)17-15(35(32,33)27-13-6-7-21-9-13)5-4-14(16(17)19-25-28-29-26-19)11-2-1-3-12(8-11)18-22-10-23-24-18/h1-5,8,10,13,21,27H,6-7,9H2,(H2,20,30,31)(H,22,23,24)(H,25,26,28,29)/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM361068 ((R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 Show InChI InChI=1S/C19H20N10O4S2/c20-34(30,31)17-15(35(32,33)27-13-6-7-21-9-13)5-4-14(16(17)19-25-28-29-26-19)11-2-1-3-12(8-11)18-22-10-23-24-18/h1-5,8,10,13,21,27H,6-7,9H2,(H2,20,30,31)(H,22,23,24)(H,25,26,28,29)/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Beta-lactamase VIM-1 (Klebsiella pneumoniae)	BDBM361068 ((R)-N4-(pyrrolidin-3-yl)-2-(2H- tetrazol-5-yl)-3'-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 Show InChI InChI=1S/C19H20N10O4S2/c20-34(30,31)17-15(35(32,33)27-13-6-7-21-9-13)5-4-14(16(17)19-25-28-29-26-19)11-2-1-3-12(8-11)18-22-10-23-24-18/h1-5,8,10,13,21,27H,6-7,9H2,(H2,20,30,31)(H,22,23,24)(H,25,26,28,29)/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0560	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