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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Enteropeptidase' and Ligand = 'BDBM158147'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Enteropeptidase


(Homo sapiens (Human))
BDBM158147
PNG
(US9024044, 75 | US9227949, 75 | US9655879, 75)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(ccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-17-10-13(21(30)31)3-6-15(17)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-4-12(20(27)28)9-16(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.390n/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 US9024044 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MVB
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158147
PNG
(US9024044, 75 | US9227949, 75 | US9655879, 75)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(ccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-17-10-13(21(30)31)3-6-15(17)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-4-12(20(27)28)9-16(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.390n/an/an/an/an/an/an/an/a



EA Pharma Co., Ltd.

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 US9655879 (2017)


BindingDB Entry DOI: 10.7270/Q22Z17KS
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158147
PNG
(US9024044, 75 | US9227949, 75 | US9655879, 75)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(ccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-17-10-13(21(30)31)3-6-15(17)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-4-12(20(27)28)9-16(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.390n/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 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...


US Patent US9227949 (2016)


BindingDB Entry DOI: 10.7270/Q2959GBT
More data for this
Ligand-Target Pair