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BDBM262321 US9708336, 173

SMILES: CCOC(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O

InChI Key: InChIKey=KLVKTQRYLXNNHS-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 = 262321   
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)
BDBM262321
PNG
(US9708336, 173)
Show SMILES CCOC(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N6O4S/c1-2-25-15(22)21-8-6-10(7-9-21)11-4-3-5-12(26(16,23)24)13(11)14-17-19-20-18-14/h3-5,10H,2,6-9H2,1H3,(H2,16,23,24)(H,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 149n/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)
BDBM262321
PNG
(US9708336, 173)
Show SMILES CCOC(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N6O4S/c1-2-25-15(22)21-8-6-10(7-9-21)11-4-3-5-12(26(16,23)24)13(11)14-17-19-20-18-14/h3-5,10H,2,6-9H2,1H3,(H2,16,23,24)(H,17,18,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 85.6n/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)
BDBM262321
PNG
(US9708336, 173)
Show SMILES CCOC(=O)N1CCC(CC1)c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N6O4S/c1-2-25-15(22)21-8-6-10(7-9-21)11-4-3-5-12(26(16,23)24)13(11)14-17-19-20-18-14/h3-5,10H,2,6-9H2,1H3,(H2,16,23,24)(H,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.39n/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