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BDBM262215 3-(4-cyanocyclohex-1-en-1- yl)-2-(2H-tetrazol-5- yl)benzenesulfonamide::US9708336, 64

SMILES: NS(=O)(=O)c1cccc(C2=CCC(CC2)C#N)c1-c1nn[nH]n1

InChI Key: InChIKey=NHHDXOPPKKPUND-UHFFFAOYNA-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 = 262215   
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)
BDBM262215
PNG
(3-(4-cyanocyclohex-1-en-1- yl)-2-(2H-tetrazol-5- y...)
Show SMILES NS(=O)(=O)c1cccc(C2=CCC(CC2)C#N)c1-c1nn[nH]n1
Show InChI InChI=1/C14H14N6O2S/c15-8-9-4-6-10(7-5-9)11-2-1-3-12(23(16,21)22)13(11)14-17-19-20-18-14/h1-3,6,9H,4-5,7H2,(H2,16,21,22)(H,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 248n/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)
BDBM262215
PNG
(3-(4-cyanocyclohex-1-en-1- yl)-2-(2H-tetrazol-5- y...)
Show SMILES NS(=O)(=O)c1cccc(C2=CCC(CC2)C#N)c1-c1nn[nH]n1
Show InChI InChI=1/C14H14N6O2S/c15-8-9-4-6-10(7-5-9)11-2-1-3-12(23(16,21)22)13(11)14-17-19-20-18-14/h1-3,6,9H,4-5,7H2,(H2,16,21,22)(H,17,18,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 588n/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)
BDBM262215
PNG
(3-(4-cyanocyclohex-1-en-1- yl)-2-(2H-tetrazol-5- y...)
Show SMILES NS(=O)(=O)c1cccc(C2=CCC(CC2)C#N)c1-c1nn[nH]n1
Show InChI InChI=1/C14H14N6O2S/c15-8-9-4-6-10(7-5-9)11-2-1-3-12(23(16,21)22)13(11)14-17-19-20-18-14/h1-3,6,9H,4-5,7H2,(H2,16,21,22)(H,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.4n/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