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BDBM262245 3-(2-morpholin-4- ylpyrimidin-5-yl)-2-(2H- tetrazol-5- yl)benzenesulfonamide::US9708336, 94

SMILES: NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCOCC2)c1-c1nn[nH]n1

InChI Key: InChIKey=QGKUJJICKXDJAR-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 = 262245   
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)
BDBM262245
PNG
(3-(2-morpholin-4- ylpyrimidin-5-yl)-2-(2H- tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCOCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C15H16N8O3S/c16-27(24,25)12-3-1-2-11(13(12)14-19-21-22-20-14)10-8-17-15(18-9-10)23-4-6-26-7-5-23/h1-3,8-9H,4-7H2,(H2,16,24,25)(H,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 164n/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)
BDBM262245
PNG
(3-(2-morpholin-4- ylpyrimidin-5-yl)-2-(2H- tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCOCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C15H16N8O3S/c16-27(24,25)12-3-1-2-11(13(12)14-19-21-22-20-14)10-8-17-15(18-9-10)23-4-6-26-7-5-23/h1-3,8-9H,4-7H2,(H2,16,24,25)(H,19,20,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 234n/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)
BDBM262245
PNG
(3-(2-morpholin-4- ylpyrimidin-5-yl)-2-(2H- tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCOCC2)c1-c1nn[nH]n1
Show InChI InChI=1S/C15H16N8O3S/c16-27(24,25)12-3-1-2-11(13(12)14-19-21-22-20-14)10-8-17-15(18-9-10)23-4-6-26-7-5-23/h1-3,8-9H,4-7H2,(H2,16,24,25)(H,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.32n/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