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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Enteropeptidase' and Ligand = 'BDBM158081'   
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))
BDBM158081
PNG
(US9024044, 9 | US9227949, 9)
Show SMILES CC(C)[C@H](NC(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H26FN3O5S/c1-11(2)17(19(27)28)26-21(30)22(3,4)10-13-6-8-16(32-13)20(29)31-15-7-5-12(18(24)25)9-14(15)23/h5-9,11,17H,10H2,1-4H3,(H3,24,25)(H,26,30)(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.790n/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
Enteropeptidase


(Homo sapiens (Human))
BDBM158081
PNG
(US9024044, 9 | US9227949, 9)
Show SMILES CC(C)[C@H](NC(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H26FN3O5S/c1-11(2)17(19(27)28)26-21(30)22(3,4)10-13-6-8-16(32-13)20(29)31-15-7-5-12(18(24)25)9-14(15)23/h5-9,11,17H,10H2,1-4H3,(H3,24,25)(H,26,30)(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.790n/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