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SMILES: NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F

InChI Key:

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 4 hits for monomerid = 453312   
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
Lys-gingipain W83


(Porphyromonas gingivalis)
BDBM453312
PNG
(BDBM453343 | BDBM553818 | US10730826, Compound 12a)
Show SMILES NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.0800n/an/an/an/an/an/a



CORTEXYME, INC.

US Patent


Assay Description
The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...


US Patent US10730826 (2020)


BindingDB Entry DOI: 10.7270/Q2QR5158
More data for this
Ligand-Target Pair
Lys-gingipain


(Porphyromonas gingivalis)
BDBM453312
PNG
(BDBM453343 | BDBM553818 | US10730826, Compound 12a)
Show SMILES NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2GF0XQ1
More data for this
Ligand-Target Pair
Lys-gingipain


(Porphyromonas gingivalis)
BDBM453312
PNG
(BDBM453343 | BDBM553818 | US10730826, Compound 12a)
Show SMILES NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2GF0XQ1
More data for this
Ligand-Target Pair
Lys-gingipain W83


(Porphyromonas gingivalis)
BDBM453312
PNG
(BDBM453343 | BDBM553818 | US10730826, Compound 12a)
Show SMILES NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.0800n/an/an/an/an/an/a



CORTEXYME, INC.

US Patent


Assay Description
The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...


US Patent US10730826 (2020)


BindingDB Entry DOI: 10.7270/Q2QR5158
More data for this
Ligand-Target Pair