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SMILES: NC(=N)c1ccc(OC(=O)c2cc3CCN(CC(O)=O)Cc3s2)c(F)c1

InChI Key: InChIKey=IJJBKIGMTXLSCQ-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 2 hits for monomerid = 234262   
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
Serine protease 1


(Homo sapiens (Human))
BDBM234262
PNG
(US9346821, B-43)
Show SMILES NC(=N)c1ccc(OC(=O)c2cc3CCN(CC(O)=O)Cc3s2)c(F)c1
Show InChI InChI=1S/C17H16FN3O4S/c18-11-5-10(16(19)20)1-2-12(11)25-17(24)13-6-9-3-4-21(8-15(22)23)7-14(9)26-13/h1-2,5-6H,3-4,7-8H2,(H3,19,20)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.560n/an/an/an/an/an/a8.0n/a



AJINOMOTO CO., INC.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM234262
PNG
(US9346821, B-43)
Show SMILES NC(=N)c1ccc(OC(=O)c2cc3CCN(CC(O)=O)Cc3s2)c(F)c1
Show InChI InChI=1S/C17H16FN3O4S/c18-11-5-10(16(19)20)1-2-12(11)25-17(24)13-6-9-3-4-21(8-15(22)23)7-14(9)26-13/h1-2,5-6H,3-4,7-8H2,(H3,19,20)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.690n/an/an/an/an/an/a8.0n/a



AJINOMOTO CO., INC.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair