BDBM361072 3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diaminopropan-2-yl)-2- (2H-tetrazol-5-yl)-[1,1'-biphenyl]- 3,4-disulfonamide::US10221163, Example 229::US10544130, Example 229

SMILES: NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O

InChI Key:

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 = 361072   

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)	BDBM361072 (3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diamin...) Show SMILES NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.173	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)	BDBM361072 (3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diamin...) Show SMILES NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0310	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 ()	BDBM361072 (3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diamin...) Show SMILES NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	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)	BDBM361072 (3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diamin...) Show SMILES NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.173	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)	BDBM361072 (3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diamin...) Show SMILES NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0310	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)	BDBM361072 (3'-(5-amino-3H-1,2,4-triazol-3-yl)- N4-(1,3-diamin...) Show SMILES NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	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