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SMILES: NS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nnn[nH]1

InChI Key: InChIKey=YWSUTBVRJKOSQR-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 = 262569   
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)
BDBM262569
PNG
(3-(2-Bromobenzo[d]thiazol-4-yl)-2-(1H-tetrazol-5-y...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H9BrN6O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6H,(H2,16,22,23)(H,18,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.8n/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)
BDBM262569
PNG
(3-(2-Bromobenzo[d]thiazol-4-yl)-2-(1H-tetrazol-5-y...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H9BrN6O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6H,(H2,16,22,23)(H,18,19,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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)
BDBM262569
PNG
(3-(2-Bromobenzo[d]thiazol-4-yl)-2-(1H-tetrazol-5-y...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H9BrN6O2S2/c15-14-17-12-8(4-1-5-9(12)24-14)7-3-2-6-10(25(16,22)23)11(7)13-18-20-21-19-13/h1-6H,(H2,16,22,23)(H,18,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.291n/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