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SMILES: NC(=N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)o2)cc1

InChI Key: InChIKey=KSTWXAMIEVDBQH-JKSUJKDBSA-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 = 234237   
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))
BDBM234237
PNG
(US9346821, A-5)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)o2)cc1 |r|
Show InChI InChI=1S/C21H24N4O9S/c22-18(23)12-3-5-13(6-4-12)34-21(29)17-8-7-14(33-17)10-25-9-1-2-16(25)19(26)24-15(20(27)28)11-35(30,31)32/h3-8,15-16H,1-2,9-11H2,(H3,22,23)(H,24,26)(H,27,28)(H,30,31,32)/t15-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.240n/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))
BDBM234237
PNG
(US9346821, A-5)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O)o2)cc1 |r|
Show InChI InChI=1S/C21H24N4O9S/c22-18(23)12-3-5-13(6-4-12)34-21(29)17-8-7-14(33-17)10-25-9-1-2-16(25)19(26)24-15(20(27)28)11-35(30,31)32/h3-8,15-16H,1-2,9-11H2,(H3,22,23)(H,24,26)(H,27,28)(H,30,31,32)/t15-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.820n/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