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Compile Data Set for Download or QSAR

Found 435 hits from Ajinomoto Co., Inc.   
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
Trypsin-1


(Homo sapiens (human))
BDBM109663
PNG
(US8609715, A-71)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(o2)-c2cccc(c2)C(=O)N[C@@H](CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H19N3O8/c24-20(25)12-4-6-15(7-5-12)33-23(32)18-9-8-17(34-18)13-2-1-3-14(10-13)21(29)26-16(22(30)31)11-19(27)28/h1-10,16H,11H2,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)/t16-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109651
PNG
(US8609715, A-59)
Show SMILES CC(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)Cc1ccc(o1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H25N3O8/c1-12(2-9-18(26)25-16(21(29)30)11-19(27)28)10-15-7-8-17(32-15)22(31)33-14-5-3-13(4-6-14)20(23)24/h3-8,12,16H,2,9-11H2,1H3,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)/t12?,16-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109704
PNG
(US8609715, B-61)
Show SMILES Cc1cc(sc1CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C(=O)Oc1ccc(cc1F)C(N)=N
Show InChI InChI=1S/C20H20FN3O7S/c1-9-6-15(20(30)31-13-3-2-10(18(22)23)7-11(13)21)32-14(9)4-5-16(25)24-12(19(28)29)8-17(26)27/h2-3,6-7,12H,4-5,8H2,1H3,(H3,22,23)(H,24,25)(H,26,27)(H,28,29)/t12-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158073
PNG
(US9024044, 1 | US9227949, 1)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C22H22FN3O7S/c23-13-8-11(18(24)25)2-4-15(13)33-20(31)16-5-3-12(34-16)10-22(6-1-7-22)21(32)26-14(19(29)30)9-17(27)28/h2-5,8,14H,1,6-7,9-10H2,(H3,24,25)(H,26,32)(H,27,28)(H,29,30)/t14-/m0/s1
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0.140n/an/an/an/an/an/an/an/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))
BDBM109707
PNG
(US8609715, B-64)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22FN3O7S/c1-21(2,20(31)25-13(18(28)29)8-16(26)27)9-11-4-6-15(33-11)19(30)32-14-5-3-10(17(23)24)7-12(14)22/h3-7,13H,8-9H2,1-2H3,(H3,23,24)(H,25,31)(H,26,27)(H,28,29)/t13-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109630
PNG
(US8609715, B-21)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H22FN3O7S/c1-10(19(28)25-14(20(29)30)4-7-17(26)27)8-12-3-6-16(33-12)21(31)32-15-5-2-11(18(23)24)9-13(15)22/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H3,23,24)(H,25,28)(H,26,27)(H,29,30)/t10?,14-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
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0.180n/an/an/an/an/an/an/an/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 US9024044 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MVB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109692
PNG
(US8609715, B-49)
Show SMILES CC(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N
Show InChI InChI=1S/C22H24FN3O7S/c1-11(2-7-18(27)26-15(21(30)31)10-19(28)29)8-13-4-6-17(34-13)22(32)33-16-5-3-12(20(24)25)9-14(16)23/h3-6,9,11,15H,2,7-8,10H2,1H3,(H3,24,25)(H,26,27)(H,28,29)(H,30,31)/t11?,15-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109629
PNG
(US8609715, B-20)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109668
PNG
(US8609715, B-25)
Show SMILES C[C@H](Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9-,13+/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109710
PNG
(US8609715, C-4)
Show SMILES CC(Cc1ncc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H19FN4O7S/c1-8(17(27)24-11(18(28)29)6-15(25)26)4-14-23-7-13(32-14)19(30)31-12-3-2-9(16(21)22)5-10(12)20/h2-3,5,7-8,11H,4,6H2,1H3,(H3,21,22)(H,24,27)(H,25,26)(H,28,29)/t8?,11-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109659
PNG
(US8609715, A-67)
Show SMILES CC(Cc1coc(c1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H21N3O8/c1-10(18(26)23-14(19(27)28)8-16(24)25)6-11-7-15(30-9-11)20(29)31-13-4-2-12(3-5-13)17(21)22/h2-5,7,9-10,14H,6,8H2,1H3,(H3,21,22)(H,23,26)(H,24,25)(H,27,28)/t10?,14-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM158140
PNG
(US9024044, 68 | US9227949, 68)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
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0.210n/an/an/an/an/an/an/an/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 US9024044 (2015)


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


(Homo sapiens (Human))
BDBM109687
PNG
(US8609715, B-44)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1Cl)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H20ClN3O8S2/c1-9(17(24)23-13(18(25)26)8-33(28,29)30)6-11-3-5-15(32-11)19(27)31-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13H,6,8H2,1H3,(H3,21,22)(H,23,24)(H,25,26)(H,28,29,30)/t9?,13-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109684
PNG
(US8609715, B-41)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H20FN3O8S2/c1-9(17(24)23-13(18(25)26)8-33(28,29)30)6-11-3-5-15(32-11)19(27)31-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13H,6,8H2,1H3,(H3,21,22)(H,23,24)(H,25,26)(H,28,29,30)/t9?,13-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109685
PNG
(US8609715, B-42)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCP(O)(O)=O
Show InChI InChI=1S/C17H19FN3O6PS/c1-9(16(22)21-8-28(24,25)26)6-11-3-5-14(29-11)17(23)27-13-4-2-10(15(19)20)7-12(13)18/h2-5,7,9H,6,8H2,1H3,(H3,19,20)(H,21,22)(H2,24,25,26)
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0.220n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109622
PNG
(US8609715, B-8)
Show SMILES C\C(=C/c1ccc(s1)C(=O)Oc1ccc(cc1[N+]([O-])=O)C(N)=N)C(O)=O
Show InChI InChI=1S/C16H13N3O6S/c1-8(15(20)21)6-10-3-5-13(26-10)16(22)25-12-4-2-9(14(17)18)7-11(12)19(23)24/h2-7H,1H3,(H3,17,18)(H,20,21)/b8-6+
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0.220n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109660
PNG
(US8609715, A-68)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H19N3O8/c24-20(25)13-5-7-15(8-6-13)33-23(32)18-10-9-17(34-18)12-1-3-14(4-2-12)21(29)26-16(22(30)31)11-19(27)28/h1-10,16H,11H2,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)/t16-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158140
PNG
(US9024044, 68 | US9227949, 68)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-13-4-6-15(21(30)31)16(10-13)22(32)33)11-14-5-8-19(37-14)23(34)36-18-7-3-12(20(27)28)9-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
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0.240n/an/an/an/an/an/an/an/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))
BDBM158077
PNG
(US9024044, 5 | US9227949, 5)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C22H24FN3O5S/c1-4-9-26(12-18(27)28)21(30)22(2,3)11-14-6-8-17(32-14)20(29)31-16-7-5-13(19(24)25)10-15(16)23/h4-8,10H,1,9,11-12H2,2-3H3,(H3,24,25)(H,27,28)
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0.240n/an/an/an/an/an/an/an/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))
BDBM109613
PNG
(US8609715, A-35)
Show SMILES CC(Cc1ccc(o1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O8/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(31-11)20(30)32-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158097
PNG
(US9024044, 25 | US9227949, 25)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C23H26FN3O7S/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m1/s1
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0.260n/an/an/an/an/an/an/an/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))
BDBM158096
PNG
(US9024044, 24 | US9227949, 24)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H28FN3O7S/c1-3-24(4-2,23(34)28-16(21(31)32)7-10-19(29)30)12-14-6-9-18(36-14)22(33)35-17-8-5-13(20(26)27)11-15(17)25/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H3,26,27)(H,28,34)(H,29,30)(H,31,32)/t16-/m0/s1
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0.270n/an/an/an/an/an/an/an/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))
BDBM109684
PNG
(US8609715, B-41)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H20FN3O8S2/c1-9(17(24)23-13(18(25)26)8-33(28,29)30)6-11-3-5-15(32-11)19(27)31-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13H,6,8H2,1H3,(H3,21,22)(H,23,24)(H,25,26)(H,28,29,30)/t9?,13-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109700
PNG
(US8609715, B-57)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(s2)-c2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)c(F)c1
Show InChI InChI=1S/C23H18FN3O7S/c24-14-9-13(20(25)26)5-6-16(14)34-23(33)18-8-7-17(35-18)11-1-3-12(4-2-11)21(30)27-15(22(31)32)10-19(28)29/h1-9,15H,10H2,(H3,25,26)(H,27,30)(H,28,29)(H,31,32)/t15-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109629
PNG
(US8609715, B-20)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109625
PNG
(US8609715, B-16)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1Br)C(N)=N)C(O)=O
Show InChI InChI=1S/C16H15BrN2O4S/c1-8(15(20)21)6-10-3-5-13(24-10)16(22)23-12-4-2-9(14(18)19)7-11(12)17/h2-5,7-8H,6H2,1H3,(H3,18,19)(H,20,21)
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0.290n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158075
PNG
(US9024044, 3 | US9227949, 3)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C19H20FN3O5S/c1-19(2,18(27)23-9-15(24)25)8-11-4-6-14(29-11)17(26)28-13-5-3-10(16(21)22)7-12(13)20/h3-7H,8-9H2,1-2H3,(H3,21,22)(H,23,27)(H,24,25)
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0.290n/an/an/an/an/an/an/an/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
Trypsin-1


(Homo sapiens (human))
BDBM109662
PNG
(US8609715, A-70)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)NCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H18N3O7P/c21-18(22)13-5-7-15(8-6-13)29-20(25)17-10-9-16(30-17)12-1-3-14(4-2-12)19(24)23-11-31(26,27)28/h1-10H,11H2,(H3,21,22)(H,23,24)(H2,26,27,28)
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0.300n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158131
PNG
(US9024044, 59 | US9227949, 59)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H22FN3O7S/c1-25(2,24(35)29-15-8-13(21(30)31)7-14(9-15)22(32)33)11-16-4-6-19(37-16)23(34)36-18-5-3-12(20(27)28)10-17(18)26/h3-10H,11H2,1-2H3,(H3,27,28)(H,29,35)(H,30,31)(H,32,33)
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0.310n/an/an/an/an/an/an/an/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))
BDBM109675
PNG
(US8609715, B-32)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C19H18FN3O7S/c20-11-7-9(17(21)22)1-4-13(11)30-19(29)14-5-2-10(31-14)3-6-15(24)23-12(18(27)28)8-16(25)26/h1-2,4-5,7,12H,3,6,8H2,(H3,21,22)(H,23,24)(H,25,26)(H,27,28)/t12-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109652
PNG
(US8609715, A-60)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC(CCC(O)=O)C(O)=O)o2)cc1
Show InChI InChI=1S/C18H18N2O7/c19-16(20)10-1-4-12(5-2-10)27-18(25)14-7-6-13(26-14)9-11(17(23)24)3-8-15(21)22/h1-2,4-7,11H,3,8-9H2,(H3,19,20)(H,21,22)(H,23,24)
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0.310n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109658
PNG
(US8609715, A-66)
Show SMILES CC(Cc1cc(co1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O8/c1-9(18(27)24-14(19(28)29)7-16(25)26)4-12-5-11(8-31-12)20(30)32-15-3-2-10(17(22)23)6-13(15)21/h2-3,5-6,8-9,14H,4,7H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,14-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158091
PNG
(US9024044, 19 | US9227949, 19)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C23H26FN3O7S/c1-3-23(4-2,22(33)27-15(20(30)31)10-18(28)29)11-13-6-8-17(35-13)21(32)34-16-7-5-12(19(25)26)9-14(16)24/h5-9,15H,3-4,10-11H2,1-2H3,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
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0.330n/an/an/an/an/an/an/an/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))
BDBM109674
PNG
(US8609715, B-31)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1Cl)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20ClN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109637
PNG
(US8609715, A-44)
Show SMILES C[C@H](Cc1ccc(o1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H21N3O8/c1-10(18(26)23-14(19(27)28)9-16(24)25)8-13-6-7-15(30-13)20(29)31-12-4-2-11(3-5-12)17(21)22/h2-7,10,14H,8-9H2,1H3,(H3,21,22)(H,23,26)(H,24,25)(H,27,28)/t10-,14+/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109673
PNG
(US8609715, B-30)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(C(N)=N)c(F)c1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-14(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-10-2-4-12(17(22)23)13(21)7-10/h2-5,7,9,14H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,14-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109651
PNG
(US8609715, A-59)
Show SMILES CC(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)Cc1ccc(o1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H25N3O8/c1-12(2-9-18(26)25-16(21(29)30)11-19(27)28)10-15-7-8-17(32-15)22(31)33-14-5-3-13(4-6-14)20(23)24/h3-8,12,16H,2,9-11H2,1H3,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)/t12?,16-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109639
PNG
(US8609715, A-46)
Show SMILES C[C@H](Cc1ccc(o1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H21N3O8/c1-10(18(26)23-14(19(27)28)9-16(24)25)8-13-6-7-15(30-13)20(29)31-12-4-2-11(3-5-12)17(21)22/h2-7,10,14H,8-9H2,1H3,(H3,21,22)(H,23,26)(H,24,25)(H,27,28)/t10-,14-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109685
PNG
(US8609715, B-42)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCP(O)(O)=O
Show InChI InChI=1S/C17H19FN3O6PS/c1-9(16(22)21-8-28(24,25)26)6-11-3-5-14(29-11)17(23)27-13-4-2-10(15(19)20)7-12(13)18/h2-5,7,9H,6,8H2,1H3,(H3,19,20)(H,21,22)(H2,24,25,26)
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0.370n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109691
PNG
(US8609715, B-48)
Show SMILES CC(CCC(O)=O)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N
Show InChI InChI=1S/C18H19FN2O4S/c1-10(2-7-16(22)23)8-12-4-6-15(26-12)18(24)25-14-5-3-11(17(20)21)9-13(14)19/h3-6,9-10H,2,7-8H2,1H3,(H3,20,21)(H,22,23)
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0.370n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109689
PNG
(US8609715, B-46)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CCC(=O)NCP(O)(O)=O)s2)c(F)c1
Show InChI InChI=1S/C16H17FN3O6PS/c17-11-7-9(15(18)19)1-4-12(11)26-16(22)13-5-2-10(28-13)3-6-14(21)20-8-27(23,24)25/h1-2,4-5,7H,3,6,8H2,(H3,18,19)(H,20,21)(H2,23,24,25)
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0.380n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109613
PNG
(US8609715, A-35)
Show SMILES CC(Cc1ccc(o1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O8/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(31-11)20(30)32-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM158147
PNG
(US9024044, 75 | US9227949, 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)
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0.390n/an/an/an/an/an/an/an/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
Trypsin-1


(Homo sapiens (human))
BDBM109631
PNG
(US8609715, B-22)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109695
PNG
(US8609715, B-52)
Show SMILES CC(Cc1cc(cs1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-14(19(28)29)7-16(25)26)4-12-5-11(8-32-12)20(30)31-15-3-2-10(17(22)23)6-13(15)21/h2-3,5-6,8-9,14H,4,7H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,14-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109649
PNG
(US8609715, A-57)
Show SMILES CC(Cc1ccc(o1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H21N3O9S/c1-10(17(23)22-14(18(24)25)9-32(27,28)29)8-13-6-7-15(30-13)19(26)31-12-4-2-11(3-5-12)16(20)21/h2-7,10,14H,8-9H2,1H3,(H3,20,21)(H,22,23)(H,24,25)(H,27,28,29)/t10?,14-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109667
PNG
(US8609715, C-2)
Show SMILES C\C(=C/c1nc(cs1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CCCO)CC(O)=O
Show InChI InChI=1S/C20H22N4O6S/c1-12(19(28)24(7-2-8-25)10-17(26)27)9-16-23-15(11-31-16)20(29)30-14-5-3-13(4-6-14)18(21)22/h3-6,9,11,25H,2,7-8,10H2,1H3,(H3,21,22)(H,26,27)/b12-9+
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0.390n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM109705
PNG
(US8609715, B-62)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)s2)c(F)c1
Show InChI InChI=1S/C20H20FN3O7S/c21-12-9-10(18(22)23)1-5-14(12)31-20(30)15-6-2-11(32-15)3-7-16(25)24-13(19(28)29)4-8-17(26)27/h1-2,5-6,9,13H,3-4,7-8H2,(H3,22,23)(H,24,25)(H,26,27)(H,28,29)/t13-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Enteropeptidase


(Homo sapiens (Human))
BDBM109678
PNG
(US8609715, B-35)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C19H20FN3O6S/c1-9(17(25)23-13(8-24)18(26)27)6-11-3-5-15(30-11)19(28)29-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13,24H,6,8H2,1H3,(H3,21,22)(H,23,25)(H,26,27)/t9?,13-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
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