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BDBM367939 3-((4-(3-methyl-1H- indazol-5-yl)-2- sulfamoyl-3-(1H- tetrazol-5- yl)phenyl)sulfonyl)azetidin- 1-ium 2,2,2- trifluoroacetate::US10227331, Example 126

SMILES: Cc1n[nH]c2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1

InChI Key: InChIKey=HEPKXFPEBKABDX-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 = 367939   
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)
BDBM367939
PNG
(3-((4-(3-methyl-1H- indazol-5-yl)-2- sulfamoyl-3-(...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C18H18N8O4S2/c1-9-13-6-10(2-4-14(13)22-21-9)12-3-5-15(31(27,28)11-7-20-8-11)17(32(19,29)30)16(12)18-23-25-26-24-18/h2-6,11,20H,7-8H2,1H3,(H,21,22)(H2,19,29,30)(H,23,24,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.715n/an/an/an/an/an/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 US10227331 (2019)

More data for this
Ligand-Target Pair
VIM-1


(Pseudomonas aeruginosa)
BDBM367939
PNG
(3-((4-(3-methyl-1H- indazol-5-yl)-2- sulfamoyl-3-(...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C18H18N8O4S2/c1-9-13-6-10(2-4-14(13)22-21-9)12-3-5-15(31(27,28)11-7-20-8-11)17(32(19,29)30)16(12)18-23-25-26-24-18/h2-6,11,20H,7-8H2,1H3,(H,21,22)(H2,19,29,30)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.477n/an/an/an/an/an/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 US10227331 (2019)

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


(Klebsiella pneumoniae)
BDBM367939
PNG
(3-((4-(3-methyl-1H- indazol-5-yl)-2- sulfamoyl-3-(...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C18H18N8O4S2/c1-9-13-6-10(2-4-14(13)22-21-9)12-3-5-15(31(27,28)11-7-20-8-11)17(32(19,29)30)16(12)18-23-25-26-24-18/h2-6,11,20H,7-8H2,1H3,(H,21,22)(H2,19,29,30)(H,23,24,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.428n/an/an/an/an/an/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 US10227331 (2019)

More data for this
Ligand-Target Pair