BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O

InChI Key: InChIKey=BMTFZBSAMOYHLW-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 = 262429   
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)
BDBM262429
PNG
(6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)isoquino...)
Show SMILES NC(=O)c1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C17H13N7O3S/c18-16(25)15-12-5-4-9(8-10(12)6-7-20-15)11-2-1-3-13(28(19,26)27)14(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 42.9n/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)
BDBM262429
PNG
(6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)isoquino...)
Show SMILES NC(=O)c1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C17H13N7O3S/c18-16(25)15-12-5-4-9(8-10(12)6-7-20-15)11-2-1-3-13(28(19,26)27)14(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.2n/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)
BDBM262429
PNG
(6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)isoquino...)
Show SMILES NC(=O)c1nccc2cc(ccc12)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C17H13N7O3S/c18-16(25)15-12-5-4-9(8-10(12)6-7-20-15)11-2-1-3-13(28(19,26)27)14(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.342n/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