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BDBM262686 3-(4-(2-Aminobenzo[d]thiazol-4-yl)- 2-sulfamoyl-3-(2H-tetrazol-5- yl)phenyl)propanamide::US9708336, 539

SMILES: NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O

InChI Key: InChIKey=LSTRFDIFJJMPDA-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 = 262686   
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)
BDBM262686
PNG
(3-(4-(2-Aminobenzo[d]thiazol-4-yl)- 2-sulfamoyl-3-...)
Show SMILES NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H16N8O3S2/c18-12(26)7-5-8-4-6-9(10-2-1-3-11-14(10)21-17(19)29-11)13(15(8)30(20,27)28)16-22-24-25-23-16/h1-4,6H,5,7H2,(H2,18,26)(H2,19,21)(H2,20,27,28)(H,22,23,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.62n/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)
BDBM262686
PNG
(3-(4-(2-Aminobenzo[d]thiazol-4-yl)- 2-sulfamoyl-3-...)
Show SMILES NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H16N8O3S2/c18-12(26)7-5-8-4-6-9(10-2-1-3-11-14(10)21-17(19)29-11)13(15(8)30(20,27)28)16-22-24-25-23-16/h1-4,6H,5,7H2,(H2,18,26)(H2,19,21)(H2,20,27,28)(H,22,23,24,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.85n/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)
BDBM262686
PNG
(3-(4-(2-Aminobenzo[d]thiazol-4-yl)- 2-sulfamoyl-3-...)
Show SMILES NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H16N8O3S2/c18-12(26)7-5-8-4-6-9(10-2-1-3-11-14(10)21-17(19)29-11)13(15(8)30(20,27)28)16-22-24-25-23-16/h1-4,6H,5,7H2,(H2,18,26)(H2,19,21)(H2,20,27,28)(H,22,23,24,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.192n/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