BDBM361092 (3S)-3-{[4-(2-amino-1H-1,3-benzodiazol-4-yl)-2-sulfamoyl-3-(2H-1,2,3,4-tetrazol-5-yl)benzene]sulfonamido}-1-(2-aminoethyl)-1-methylpyrrolidin-1-ium methaneperoxoate::US10221163, Example 249

SMILES: C[N+]1(CCN)CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O

InChI Key: InChIKey=IJLHELHLLCLSEM-WRWAFURQSA-N

Data: 3 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 3 hits for monomerid = 361092   

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)	BDBM361092 ((3S)-3-{[4-(2-amino-1H-1,3-benzodiazol-4-yl)-2-sul...) Show SMILES C[N+]1(CCN)CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C21H26N11O4S2/c1-32(10-8-22)9-7-12(11-32)29-38(35,36)16-6-5-13(14-3-2-4-15-18(14)26-21(23)25-15)17(19(16)37(24,33)34)20-27-30-31-28-20/h2-6,12,29H,7-11,22H2,1H3,(H2,23,25)(H2,24,33,34)/q+1/b14-13+/t12-,32?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.342	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 VIM-1 (Klebsiella pneumoniae)	BDBM361092 ((3S)-3-{[4-(2-amino-1H-1,3-benzodiazol-4-yl)-2-sul...) Show SMILES C[N+]1(CCN)CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C21H26N11O4S2/c1-32(10-8-22)9-7-12(11-32)29-38(35,36)16-6-5-13(14-3-2-4-15-18(14)26-21(23)25-15)17(19(16)37(24,33)34)20-27-30-31-28-20/h2-6,12,29H,7-11,22H2,1H3,(H2,23,25)(H2,24,33,34)/q+1/b14-13+/t12-,32?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0610	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)	BDBM361092 ((3S)-3-{[4-(2-amino-1H-1,3-benzodiazol-4-yl)-2-sul...) Show SMILES C[N+]1(CCN)CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C21H26N11O4S2/c1-32(10-8-22)9-7-12(11-32)29-38(35,36)16-6-5-13(14-3-2-4-15-18(14)26-21(23)25-15)17(19(16)37(24,33)34)20-27-30-31-28-20/h2-6,12,29H,7-11,22H2,1H3,(H2,23,25)(H2,24,33,34)/q+1/b14-13+/t12-,32?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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