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BDBM262856 3-isothiazolo[3,4-b]pyridin-3-yl- 2-(1H-tetrazol-5-yl)-6- (trifluoromethyl)benzenesulfon- amide::US9708336, 709

SMILES: NS(=O)(=O)c1c(ccc(-c2snc3ncccc23)c1-c1nnn[nH]1)C(F)(F)F

InChI Key: InChIKey=DXRUADFAYNPEKY-UHFFFAOYSA-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 = 262856   
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)
BDBM262856
PNG
(3-isothiazolo[3,4-b]pyridin-3-yl- 2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2snc3ncccc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H8F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5H,(H2,18,25,26)(H,20,21,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 16.4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262856
PNG
(3-isothiazolo[3,4-b]pyridin-3-yl- 2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2snc3ncccc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H8F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5H,(H2,18,25,26)(H,20,21,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.289n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262856
PNG
(3-isothiazolo[3,4-b]pyridin-3-yl- 2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2snc3ncccc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H8F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5H,(H2,18,25,26)(H,20,21,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.58n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair