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BDBM262437 5-Chloro-3-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide::US9708336, 289

SMILES: NS(=O)(=O)c1cc(Cl)cc(-c2ccc3CNC(=O)c3c2)c1-c1nn[nH]n1

InChI Key: InChIKey=CZKTXCMLKDPXRH-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 = 262437   
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)
BDBM262437
PNG
(5-Chloro-3-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-2-...)
Show SMILES NS(=O)(=O)c1cc(Cl)cc(-c2ccc3CNC(=O)c3c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C15H11ClN6O3S/c16-9-4-10(7-1-2-8-6-18-15(23)11(8)3-7)13(14-19-21-22-20-14)12(5-9)26(17,24)25/h1-5H,6H2,(H,18,23)(H2,17,24,25)(H,19,20,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 121n/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
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262437
PNG
(5-Chloro-3-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-2-...)
Show SMILES NS(=O)(=O)c1cc(Cl)cc(-c2ccc3CNC(=O)c3c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C15H11ClN6O3S/c16-9-4-10(7-1-2-8-6-18-15(23)11(8)3-7)13(14-19-21-22-20-14)12(5-9)26(17,24)25/h1-5H,6H2,(H,18,23)(H2,17,24,25)(H,19,20,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 452n/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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262437
PNG
(5-Chloro-3-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-2-...)
Show SMILES NS(=O)(=O)c1cc(Cl)cc(-c2ccc3CNC(=O)c3c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C15H11ClN6O3S/c16-9-4-10(7-1-2-8-6-18-15(23)11(8)3-7)13(14-19-21-22-20-14)12(5-9)26(17,24)25/h1-5H,6H2,(H,18,23)(H2,17,24,25)(H,19,20,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.5n/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