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SMILES: CN(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=BVOQHMQONHXLPX-SFTDATJTSA-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 = 234255   
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
Enteropeptidase


(Homo sapiens (Human))
BDBM234255
PNG
(US9346821, B-29)
Show SMILES CN(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H29FN4O7S/c1-33(15-18-8-11-23(41-18)28(39)40-22-10-7-17(25(30)31)14-19(22)29)21(13-16-5-3-2-4-6-16)26(36)32-20(27(37)38)9-12-24(34)35/h2-8,10-11,14,20-21H,9,12-13,15H2,1H3,(H3,30,31)(H,32,36)(H,34,35)(H,37,38)/t20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.380n/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
Serine protease 1


(Homo sapiens (Human))
BDBM234255
PNG
(US9346821, B-29)
Show SMILES CN(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C28H29FN4O7S/c1-33(15-18-8-11-23(41-18)28(39)40-22-10-7-17(25(30)31)14-19(22)29)21(13-16-5-3-2-4-6-16)26(36)32-20(27(37)38)9-12-24(34)35/h2-8,10-11,14,20-21H,9,12-13,15H2,1H3,(H3,30,31)(H,32,36)(H,34,35)(H,37,38)/t20-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.700n/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