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BDBM262836 3-[4-(3- azaspiro[5.5]undec-9- ylamino)cyclohexyl]-2- (1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide::US9708336, 689

SMILES: NS(=O)(=O)c1c(ccc(C2CC[C@@H](CC2)NC2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F

InChI Key: InChIKey=PERRXDFSGLUAEO-CXIWYSOXSA-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 = 262836   
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)
BDBM262836
PNG
(3-[4-(3- azaspiro[5.5]undec-9- ylamino)cyclohexyl]...)
Show SMILES NS(=O)(=O)c1c(ccc(C2CC[C@@H](CC2)NC2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H34F3N7O2S/c25-24(26,27)19-6-5-18(20(21(19)37(28,35)36)22-31-33-34-32-22)15-1-3-16(4-2-15)30-17-7-9-23(10-8-17)11-13-29-14-12-23/h5-6,15-17,29-30H,1-4,7-14H2,(H2,28,35,36)(H,31,32,33,34)/t15?,16-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 52.1n/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)
BDBM262836
PNG
(3-[4-(3- azaspiro[5.5]undec-9- ylamino)cyclohexyl]...)
Show SMILES NS(=O)(=O)c1c(ccc(C2CC[C@@H](CC2)NC2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H34F3N7O2S/c25-24(26,27)19-6-5-18(20(21(19)37(28,35)36)22-31-33-34-32-22)15-1-3-16(4-2-15)30-17-7-9-23(10-8-17)11-13-29-14-12-23/h5-6,15-17,29-30H,1-4,7-14H2,(H2,28,35,36)(H,31,32,33,34)/t15?,16-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.43n/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)
BDBM262836
PNG
(3-[4-(3- azaspiro[5.5]undec-9- ylamino)cyclohexyl]...)
Show SMILES NS(=O)(=O)c1c(ccc(C2CC[C@@H](CC2)NC2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H34F3N7O2S/c25-24(26,27)19-6-5-18(20(21(19)37(28,35)36)22-31-33-34-32-22)15-1-3-16(4-2-15)30-17-7-9-23(10-8-17)11-13-29-14-12-23/h5-6,15-17,29-30H,1-4,7-14H2,(H2,28,35,36)(H,31,32,33,34)/t15?,16-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26.8n/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