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SMILES: Nc1nc2nccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1

InChI Key: InChIKey=MUVOMQQQMNGNCZ-UHFFFAOYSA-N

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 = 262717   
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)
BDBM262717
PNG
(3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-te...)
Show SMILES Nc1nc2nccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-4-20-12-9(6)21-13(18)22-12)8(10(7)29(19,27)28)11-23-25-26-24-11/h1-4H,(H2,19,27,28)(H3,18,20,21,22)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.06n/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
VIM-1 metallo-beta-lactamase


(Klebsiella pneumoniae)
BDBM262717
PNG
(3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-te...)
Show SMILES Nc1nc2nccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-4-20-12-9(6)21-13(18)22-12)8(10(7)29(19,27)28)11-23-25-26-24-11/h1-4H,(H2,19,27,28)(H3,18,20,21,22)(H,23,24,25,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.490n/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
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM262717
PNG
(3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-te...)
Show SMILES Nc1nc2nccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C14H10F3N9O2S/c15-14(16,17)7-2-1-5(6-3-4-20-12-9(6)21-13(18)22-12)8(10(7)29(19,27)28)11-23-25-26-24-11/h1-4H,(H2,19,27,28)(H3,18,20,21,22)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.330n/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