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BDBM262844 3-[4-(piperidin-3- ylamino)cyclohexyl]-2- (1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide::US9708336, 697

SMILES: NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNC2)c1-c1nnn[nH]1)C(F)(F)F

InChI Key: InChIKey=XDVPGHCWOYUDOP-TWEVBFGDSA-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 = 262844   
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)
BDBM262844
PNG
(3-[4-(piperidin-3- ylamino)cyclohexyl]-2- (1H-tetr...)
Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H26F3N7O2S/c20-19(21,22)15-8-7-14(16(17(15)32(23,30)31)18-26-28-29-27-18)11-3-5-12(6-4-11)25-13-2-1-9-24-10-13/h7-8,11-13,24-25H,1-6,9-10H2,(H2,23,30,31)(H,26,27,28,29)/t11-,12-,13?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.42n/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)

More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM262844
PNG
(3-[4-(piperidin-3- ylamino)cyclohexyl]-2- (1H-tetr...)
Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H26F3N7O2S/c20-19(21,22)15-8-7-14(16(17(15)32(23,30)31)18-26-28-29-27-18)11-3-5-12(6-4-11)25-13-2-1-9-24-10-13/h7-8,11-13,24-25H,1-6,9-10H2,(H2,23,30,31)(H,26,27,28,29)/t11-,12-,13?
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.33n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262844
PNG
(3-[4-(piperidin-3- ylamino)cyclohexyl]-2- (1H-tetr...)
Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCCNC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H26F3N7O2S/c20-19(21,22)15-8-7-14(16(17(15)32(23,30)31)18-26-28-29-27-18)11-3-5-12(6-4-11)25-13-2-1-9-24-10-13/h7-8,11-13,24-25H,1-6,9-10H2,(H2,23,30,31)(H,26,27,28,29)/t11-,12-,13?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.61n/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)

More data for this
Ligand-Target Pair