BindingDB logo
myBDB logout

BDBM262713 3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide::US9708336, 566

SMILES: Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1

InChI Key: InChIKey=GWIQLGMGLUTRQS-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 = 262713   
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)
BDBM262713
PNG
(3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.68n/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)
BDBM262713
PNG
(3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.508n/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)
BDBM262713
PNG
(3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1...)
Show SMILES Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1
Show InChI InChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.233n/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