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Patent code US8933056

Compile Data Set for Download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 0.260n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142088
PNG
(US11096924, DASH-inhibitors 2243 | US11559537, Com...)
Show SMILES C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O2S/c1-5(9)7(13)10-4-2-3-6(10)8(11)12/h5-6,11-12H,2-4,9H2,1H3/t5-,6-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142093
PNG
(US11096924, DASH-inhibitors 1797 | US11559537, Com...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C12H23BN2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11,17-18H,1-8,14H2/t10-,11-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050521
PNG
((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
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n/an/a 1.10n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142107
PNG
(US8933056, Arg-boroPro Thioxamide)
Show SMILES N[C@@H](CCCNC(N)=N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C10H22BN5O2S/c12-7(3-1-5-15-10(13)14)9(19)16-6-2-4-8(16)11(17)18/h7-8,17-18H,1-6,12H2,(H4,13,14,15)/t7-,8-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142105
PNG
(US8933056, Trp-boroPro Thioxamide)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=S)N1CCC[C@H]1B(O)O |r|
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n/an/a 1.60n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142103
PNG
(US8933056, Aad-boroPro Thioxamide)
Show SMILES CCC[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O2S/c1-2-4-7(11)9(15)12-6-3-5-8(12)10(13)14/h7-8,13-14H,2-6,11H2,1H3/t7-,8-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142106
PNG
(US8933056, Arg-boroPro)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C10H22BN5O3/c12-7(3-1-5-15-10(13)14)9(17)16-6-2-4-8(16)11(18)19/h7-8,18-19H,1-6,12H2,(H4,13,14,15)/t7-,8-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142104
PNG
(US8933056, Trp-boroPro)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142095
PNG
(US8933056, Gly-boroPro Thioxamide)
Show SMILES NCC(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O2S/c8-4-6(12)9-3-1-2-5(9)7(10)11/h5,10-11H,1-4,8H2/t5-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142093
PNG
(US11096924, DASH-inhibitors 1797 | US11559537, Com...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C12H23BN2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11,17-18H,1-8,14H2/t10-,11-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142102
PNG
(US8933056, Aad-boroPro)
Show SMILES CCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-2-4-7(11)9(13)12-6-3-5-8(12)10(14)15/h7-8,14-15H,2-6,11H2,1H3/t7-,8-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142101
PNG
(US8933056, Glu-boroPro Thioxamide)
Show SMILES N[C@@H](CCC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O4S/c11-6(3-4-8(13)14)9(17)12-5-1-2-7(12)10(15)16/h6-7,15-16H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142108
PNG
(US8933056, Pro-boroPro Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C9H17BN2O2S/c13-10(14)8-4-2-6-12(8)9(15)7-3-1-5-11-7/h7-8,11,13-14H,1-6H2/t7-,8-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142098
PNG
(US8933056, N-(Benzyl)- Gly-boroPro)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNCc1ccccc1 |r|
Show InChI InChI=1S/C13H19BN2O3/c17-13(16-8-4-7-12(16)14(18)19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,18-19H,4,7-10H2/t12-/m0/s1
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n/an/a 9.5n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142100
PNG
(US8933056, Asp-boroPro Thioxamide)
Show SMILES N[C@@H](CC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4S/c10-5(4-7(12)13)8(16)11-3-1-2-6(11)9(14)15/h5-6,14-15H,1-4,10H2,(H,12,13)/t5-,6-/m0/s1
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n/an/a 17n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142099
PNG
(US8933056, N-(Benzyl)- Gly-boroPro Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)CNCc1ccccc1 |r|
Show InChI InChI=1S/C13H19BN2O2S/c17-14(18)12-7-4-8-16(12)13(19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,17-18H,4,7-10H2/t12-/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142096
PNG
(US8933056, NVP-LAF237 analogue)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:22:12:20:16.15.17,11:12:20.14.15:17,THB:22:16:20:12.13.21,13:12:20.14.15:17,13:14:12.22.21:17|
Show InChI InChI=1S/C16H27BN2O4/c20-14(19-3-1-2-13(19)17(22)23)9-18-15-5-11-4-12(6-15)8-16(21,7-11)10-15/h11-13,18,21-23H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
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Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142092
PNG
(US11096924, DASH-inhibitors 2401 | US11559537, Com...)
Show SMILES CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O2S/c1-6(2)8(11)9(15)12-5-3-4-7(12)10(13)14/h6-8,13-14H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142090
PNG
(US8933056, Ala-boroAla)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C5H13BN2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4,10-11H,7H2,1-2H3,(H,8,9)/t3-,4-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142096
PNG
(US8933056, NVP-LAF237 analogue)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:22:12:20:16.15.17,11:12:20.14.15:17,THB:22:16:20:12.13.21,13:12:20.14.15:17,13:14:12.22.21:17|
Show InChI InChI=1S/C16H27BN2O4/c20-14(19-3-1-2-13(19)17(22)23)9-18-15-5-11-4-12(6-15)8-16(21,7-11)10-15/h11-13,18,21-23H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142089
PNG
(US8933056, Val-boroAla Thioxamide)
Show SMILES CC(C)[C@H](N)C(=S)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O2S/c1-4(2)6(9)7(13)10-5(3)8(11)12/h4-6,11-12H,9H2,1-3H3,(H,10,13)/t5-,6-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142097
PNG
(US8933056, NVP-LAF237 analogue Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:11:12:20.14.15:17,22:12:20:16.15.17,THB:13:12:20.14.15:17,13:14:12.22.21:17,22:16:20:12.13.21|
Show InChI InChI=1S/C16H27BN2O3S/c20-16-7-11-4-12(8-16)6-15(5-11,10-16)18-9-14(23)19-3-1-2-13(19)17(21)22/h11-13,18,20-22H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142099
PNG
(US8933056, N-(Benzyl)- Gly-boroPro Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)CNCc1ccccc1 |r|
Show InChI InChI=1S/C13H19BN2O2S/c17-14(18)12-7-4-8-16(12)13(19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,17-18H,4,7-10H2/t12-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142421
PNG
(US8933056, Asp-boroPro)
Show SMILES N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6,15-16H,1-4,10H2,(H,12,13)/t5-,6-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142089
PNG
(US8933056, Val-boroAla Thioxamide)
Show SMILES CC(C)[C@H](N)C(=S)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O2S/c1-4(2)6(9)7(13)10-5(3)8(11)12/h4-6,11-12H,9H2,1-3H3,(H,10,13)/t5-,6-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142093
PNG
(US11096924, DASH-inhibitors 1797 | US11559537, Com...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C12H23BN2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11,17-18H,1-8,14H2/t10-,11-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142090
PNG
(US8933056, Ala-boroAla)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C5H13BN2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4,10-11H,7H2,1-2H3,(H,8,9)/t3-,4-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142105
PNG
(US8933056, Trp-boroPro Thioxamide)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=S)N1CCC[C@H]1B(O)O |r|
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142101
PNG
(US8933056, Glu-boroPro Thioxamide)
Show SMILES N[C@@H](CCC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O4S/c11-6(3-4-8(13)14)9(17)12-5-1-2-7(12)10(15)16/h6-7,15-16H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.20E+3n/an/an/an/a8.0n/a



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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 1.40E+3n/an/an/an/a8.0n/a



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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142095
PNG
(US8933056, Gly-boroPro Thioxamide)
Show SMILES NCC(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O2S/c8-4-6(12)9-3-1-2-5(9)7(10)11/h5,10-11H,1-4,8H2/t5-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142104
PNG
(US8933056, Trp-boroPro)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
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n/an/a 3.00E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142092
PNG
(US11096924, DASH-inhibitors 2401 | US11559537, Com...)
Show SMILES CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O2S/c1-6(2)8(11)9(15)12-5-3-4-7(12)10(13)14/h6-8,13-14H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142091
PNG
(US8933056, Ala-boroAla Thioxamide)
Show SMILES C[C@H](N)C(=S)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C5H13BN2O2S/c1-3(7)5(11)8-4(2)6(9)10/h3-4,9-10H,7H2,1-2H3,(H,8,11)/t3-,4-/m0/s1
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US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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n/an/a 7.00E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142108
PNG
(US8933056, Pro-boroPro Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C9H17BN2O2S/c13-10(14)8-4-2-6-12(8)9(15)7-3-1-5-11-7/h7-8,11,13-14H,1-6H2/t7-,8-/m0/s1
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n/an/a 7.00E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142106
PNG
(US8933056, Arg-boroPro)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C10H22BN5O3/c12-7(3-1-5-15-10(13)14)9(17)16-6-2-4-8(16)11(18)19/h7-8,18-19H,1-6,12H2,(H4,13,14,15)/t7-,8-/m0/s1
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n/an/a 7.10E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142102
PNG
(US8933056, Aad-boroPro)
Show SMILES CCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-2-4-7(11)9(13)12-6-3-5-8(12)10(14)15/h7-8,14-15H,2-6,11H2,1H3/t7-,8-/m0/s1
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n/an/a 7.40E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142091
PNG
(US8933056, Ala-boroAla Thioxamide)
Show SMILES C[C@H](N)C(=S)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C5H13BN2O2S/c1-3(7)5(11)8-4(2)6(9)10/h3-4,9-10H,7H2,1-2H3,(H,8,11)/t3-,4-/m0/s1
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n/an/a 7.70E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142093
PNG
(US11096924, DASH-inhibitors 1797 | US11559537, Com...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C12H23BN2O3/c14-11(9-5-2-1-3-6-9)12(16)15-8-4-7-10(15)13(17)18/h9-11,17-18H,1-8,14H2/t10-,11-/m0/s1
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n/an/a 9.00E+3n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142103
PNG
(US8933056, Aad-boroPro Thioxamide)
Show SMILES CCC[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O2S/c1-2-4-7(11)9(15)12-6-3-5-8(12)10(13)14/h7-8,13-14H,2-6,11H2,1H3/t7-,8-/m0/s1
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n/an/a 1.90E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142088
PNG
(US11096924, DASH-inhibitors 2243 | US11559537, Com...)
Show SMILES C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O2S/c1-5(9)7(13)10-4-2-3-6(10)8(11)12/h5-6,11-12H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 2.00E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050521
PNG
((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
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n/an/a 2.30E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142100
PNG
(US8933056, Asp-boroPro Thioxamide)
Show SMILES N[C@@H](CC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4S/c10-5(4-7(12)13)8(16)11-3-1-2-6(11)9(14)15/h5-6,14-15H,1-4,10H2,(H,12,13)/t5-,6-/m0/s1
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n/an/a 2.80E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 3.50E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142097
PNG
(US8933056, NVP-LAF237 analogue Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:11:12:20.14.15:17,22:12:20:16.15.17,THB:13:12:20.14.15:17,13:14:12.22.21:17,22:16:20:12.13.21|
Show InChI InChI=1S/C16H27BN2O3S/c20-16-7-11-4-12(8-16)6-15(5-11,10-16)18-9-14(23)19-3-1-2-13(19)17(21)22/h11-13,18,20-22H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
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n/an/a 4.00E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142098
PNG
(US8933056, N-(Benzyl)- Gly-boroPro)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNCc1ccccc1 |r|
Show InChI InChI=1S/C13H19BN2O3/c17-13(16-8-4-7-12(16)14(18)19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,18-19H,4,7-10H2/t12-/m0/s1
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n/an/a 6.90E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%