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BDBM262804 3-[(3S)-3-hydroxypiperidin-1-yl]-2- (1H-tetrazol-5-yl)-6- (trifluoromethyl)benzenesulfonamide::US9708336, 657

SMILES: NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F

InChI Key: InChIKey=BDBQQOZVWPHNLC-JLDDOWRYNA-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 = 262804   
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)
BDBM262804
PNG
(3-[(3S)-3-hydroxypiperidin-1-yl]-2- (1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1/C13H15F3N6O3S/c14-13(15,16)8-3-4-9(22-5-1-2-7(23)6-22)10(11(8)26(17,24)25)12-18-20-21-19-12/h3-4,7,23H,1-2,5-6H2,(H2,17,24,25)(H,18,19,20,21)/t7-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10.2n/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)
BDBM262804
PNG
(3-[(3S)-3-hydroxypiperidin-1-yl]-2- (1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1/C13H15F3N6O3S/c14-13(15,16)8-3-4-9(22-5-1-2-7(23)6-22)10(11(8)26(17,24)25)12-18-20-21-19-12/h3-4,7,23H,1-2,5-6H2,(H2,17,24,25)(H,18,19,20,21)/t7-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.09n/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)
BDBM262804
PNG
(3-[(3S)-3-hydroxypiperidin-1-yl]-2- (1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1/C13H15F3N6O3S/c14-13(15,16)8-3-4-9(22-5-1-2-7(23)6-22)10(11(8)26(17,24)25)12-18-20-21-19-12/h3-4,7,23H,1-2,5-6H2,(H2,17,24,25)(H,18,19,20,21)/t7-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.66n/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