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BDBM262887 4'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)-4- (trifluoromethyl)biphenyl-3- sulfonamide::US9708336, 740

SMILES: NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F

InChI Key: InChIKey=JNDDJNAYNOSVPP-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 = 262887   
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)
BDBM262887
PNG
(4'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,29H,7-10H2,(H2,23,30,31)(H,24,25,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.456n/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)
BDBM262887
PNG
(4'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,29H,7-10H2,(H2,23,30,31)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.15n/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)
BDBM262887
PNG
(4'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,29H,7-10H2,(H2,23,30,31)(H,24,25,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.229n/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