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SMILES: NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2nnn[nH]2)c1-c1nn[nH]n1

InChI Key: InChIKey=LHEFWGXHCXOHIO-UHFFFAOYSA-N

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 = 262223   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262223
PNG
(4'-(1H-tetrazol-5-yl)-2-(2H- tetrazol-5-yl)bipheny...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2nnn[nH]2)c1-c1nn[nH]n1
Show InChI InChI=1S/C14H11N9O2S/c15-26(24,25)11-3-1-2-10(12(11)14-18-22-23-19-14)8-4-6-9(7-5-8)13-16-20-21-17-13/h1-7H,(H2,15,24,25)(H,16,17,20,21)(H,18,19,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48.7n/an/an/an/a7.0n/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 US9708336 (2017)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair
VIM-1 metallo-beta-lactamase


(Klebsiella pneumoniae)
BDBM262223
PNG
(4'-(1H-tetrazol-5-yl)-2-(2H- tetrazol-5-yl)bipheny...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2nnn[nH]2)c1-c1nn[nH]n1
Show InChI InChI=1S/C14H11N9O2S/c15-26(24,25)11-3-1-2-10(12(11)14-18-22-23-19-14)8-4-6-9(7-5-8)13-16-20-21-17-13/h1-7H,(H2,15,24,25)(H,16,17,20,21)(H,18,19,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.2n/an/an/an/a7.0n/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 US9708336 (2017)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM262223
PNG
(4'-(1H-tetrazol-5-yl)-2-(2H- tetrazol-5-yl)bipheny...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(cc2)-c2nnn[nH]2)c1-c1nn[nH]n1
Show InChI InChI=1S/C14H11N9O2S/c15-26(24,25)11-3-1-2-10(12(11)14-18-22-23-19-14)8-4-6-9(7-5-8)13-16-20-21-17-13/h1-7H,(H2,15,24,25)(H,16,17,20,21)(H,18,19,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.637n/an/an/an/a7.0n/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 US9708336 (2017)


BindingDB Entry DOI: 10.7270/Q2FN186K
More data for this
Ligand-Target Pair