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Compile Data Set for Download or QSAR

Found 1289 hits with Last Name = 'bachovchin' and Initial = 'ww'   
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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0.0300n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
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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0.180n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
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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0.180n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
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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0.270n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
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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0.400n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(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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0.410n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(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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0.530n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50431227
PNG
(CHEMBL2333024)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-3-7-17-9-11)15(21)19-8-4-6-12(19)16(22)23/h3,5,7,9-10,12-13,22-23H,4,6,8H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
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0.730n/an/an/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(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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0.760n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(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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1.5n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
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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1.80n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(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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2n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476305
PNG
(CHEMBL2068511)
Show SMILES [H][C@@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(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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2.60n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(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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3.10n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
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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3.90n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50431242
PNG
(CHEMBL2333026)
Show SMILES C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1
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9n/an/an/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of human FAP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(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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11n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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17n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(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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50n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(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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96n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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140n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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260n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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880n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50476304
PNG
(CHEMBL2068512)
Show SMILES [H][C@]1(N)CCN([C@@H](C)B(O)O)C1=O
Show InChI InChI=1S/C6H13BN2O3/c1-4(7(11)12)9-3-2-5(8)6(9)10/h4-5,11-12H,2-3,8H2,1H3/t4-,5-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 50: 2391-8 (2007)


Article DOI: 10.1021/jm061321+
BindingDB Entry DOI: 10.7270/Q2NC6407
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50431242
PNG
(CHEMBL2333026)
Show SMILES C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005111
PNG
(CHEMBL3086656)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C27H49N9O5/c1-15(2)19(28)24(40)35-13-7-11-18(35)23(39)34-20(27(3,4)5)25(41)36-14-8-10-17(36)22(38)33-16(21(29)37)9-6-12-32-26(30)31/h15-20H,6-14,28H2,1-5H3,(H2,29,37)(H,33,38)(H,34,39)(H4,30,31,32)/t16-,17-,18-,19-,20?/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005109
PNG
(CHEMBL3086660)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C192H290N54O55S/c1-18-97(8)150(180(294)236-131(85-142(195)254)169(283)227-125(77-95(4)5)165(279)228-126(78-96(6)7)172(286)240-151(102(13)248)181(295)223-122(34-24-69-210-191(204)205)186(300)245-73-28-37-139(245)177(291)222-117(33-23-68-209-190(202)203)158(272)225-123(153(197)267)80-104-42-52-110(250)53-43-104)239-173(287)129(83-107-48-58-113(253)59-49-107)231-168(282)130(84-108-90-206-93-212-108)232-160(274)116(32-22-67-208-189(200)201)220-164(278)124(76-94(2)3)226-156(270)99(10)214-174(288)136(92-247)238-167(281)128(82-106-46-56-112(252)57-47-106)230-166(280)127(81-105-44-54-111(251)55-45-105)229-159(273)115(31-21-66-207-188(198)199)218-154(268)98(9)213-157(271)120(64-75-302-17)221-170(284)133(88-148(263)264)234-162(276)119(61-63-146(259)260)219-155(269)100(11)215-176(290)138-36-26-70-242(138)183(297)101(12)216-163(277)132(87-147(261)262)233-161(275)118(60-62-145(257)258)217-144(256)91-211-175(289)137-35-25-72-244(137)187(301)135(86-143(196)255)237-171(285)134(89-149(265)266)235-178(292)140-38-29-74-246(140)185(299)121(30-19-20-65-193)224-182(296)152(192(14,15)16)241-179(293)141-39-27-71-243(141)184(298)114(194)79-103-40-50-109(249)51-41-103/h40-59,90,93-102,114-141,150-152,247-253H,18-39,60-89,91-92,193-194H2,1-17H3,(H2,195,254)(H2,196,255)(H2,197,267)(H,206,212)(H,211,289)(H,213,271)(H,214,288)(H,215,290)(H,216,277)(H,217,256)(H,218,268)(H,219,269)(H,220,278)(H,221,284)(H,222,291)(H,223,295)(H,224,296)(H,225,272)(H,226,270)(H,227,283)(H,228,279)(H,229,273)(H,230,280)(H,231,282)(H,232,274)(H,233,275)(H,234,276)(H,235,292)(H,236,294)(H,237,285)(H,238,281)(H,239,287)(H,240,286)(H,241,293)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,198,199,207)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)/t97-,98-,99-,100-,101-,102+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-,152?/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005107
PNG
(CHEMBL3086661)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C192H291N55O56S/c1-18-95(7)149(180(296)237-130(84-141(196)256)170(286)229-125(77-94(5)6)173(289)241-150(96(8)19-2)181(297)242-151(101(13)249)182(298)225-117(34-25-70-211-191(205)206)158(274)223-119(59-62-140(195)255)163(279)221-115(32-23-68-209-189(201)202)159(275)227-123(153(198)269)79-103-41-51-109(251)52-42-103)240-174(290)128(82-106-47-57-112(254)58-48-106)232-169(285)129(83-107-89-207-92-213-107)233-161(277)116(33-24-69-210-190(203)204)222-166(282)124(76-93(3)4)228-156(272)98(10)215-175(291)135(91-248)239-168(284)127(81-105-45-55-111(253)56-46-105)231-167(283)126(80-104-43-53-110(252)54-44-104)230-160(276)114(31-22-67-208-188(199)200)219-154(270)97(9)214-157(273)121(65-75-304-17)224-171(287)132(87-147(265)266)235-164(280)120(61-64-145(261)262)220-155(271)99(11)216-177(293)137-36-27-71-244(137)184(300)100(12)217-165(281)131(86-146(263)264)234-162(278)118(60-63-144(259)260)218-143(258)90-212-176(292)136-35-26-73-246(136)187(303)134(85-142(197)257)238-172(288)133(88-148(267)268)236-178(294)138-37-29-74-247(138)186(302)122(30-20-21-66-193)226-183(299)152(192(14,15)16)243-179(295)139-38-28-72-245(139)185(301)113(194)78-102-39-49-108(250)50-40-102/h39-58,89,92-101,113-139,149-152,248-254H,18-38,59-88,90-91,193-194H2,1-17H3,(H2,195,255)(H2,196,256)(H2,197,257)(H2,198,269)(H,207,213)(H,212,292)(H,214,273)(H,215,291)(H,216,293)(H,217,281)(H,218,258)(H,219,270)(H,220,271)(H,221,279)(H,222,282)(H,223,274)(H,224,287)(H,225,298)(H,226,299)(H,227,275)(H,228,272)(H,229,286)(H,230,276)(H,231,283)(H,232,285)(H,233,277)(H,234,278)(H,235,280)(H,236,294)(H,237,296)(H,238,288)(H,239,284)(H,240,290)(H,241,289)(H,242,297)(H,243,295)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t95-,96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-,152?/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005112
PNG
(CHEMBL3086658)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
Show InChI InChI=1S/C143H246N50O41S4/c1-16-75(10)110(136(232)188-97(67-199)130(226)187-96(66-198)129(225)186-95(65-197)128(224)185-94(64-196)117(213)166-58-103(202)169-89(51-71(2)3)114(210)163-60-105(204)171-98(68-235)131(227)177-81(32-21-23-43-145)123(219)189-109(74(8)9)135(231)184-90(52-72(4)5)126(222)175-82(34-25-45-159-140(151)152)120(216)174-83(35-26-46-160-141(153)154)121(217)181-88(112(148)208)54-77-56-157-70-167-77)191-124(220)84(36-27-47-161-142(155)156)176-127(223)92(55-107(206)207)183-122(218)86(40-49-237-14)178-119(215)80(31-20-22-42-144)173-118(214)79(33-24-44-158-139(149)150)168-102(201)57-164-115(211)91(53-76-29-18-17-19-30-76)182-132(228)99(69-236)172-106(205)61-165-116(212)93(63-195)170-104(203)59-162-113(209)85(38-39-101(147)200)179-134(230)108(73(6)7)190-125(221)87(41-50-238-15)180-137(233)111(143(11,12)13)192-133(229)100-37-28-48-193(100)138(234)78(146)62-194/h17-19,29-30,56,70-75,78-100,108-111,194-199,235-236H,16,20-28,31-55,57-69,144-146H2,1-15H3,(H2,147,200)(H2,148,208)(H,157,167)(H,162,209)(H,163,210)(H,164,211)(H,165,212)(H,166,213)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,214)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,215)(H,179,230)(H,180,233)(H,181,217)(H,182,228)(H,183,218)(H,184,231)(H,185,224)(H,186,225)(H,187,226)(H,188,232)(H,189,219)(H,190,221)(H,191,220)(H,192,229)(H,206,207)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t75-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-,109-,110-,111?/m0/s1
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6.10E+4n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005110
PNG
(CHEMBL3086657)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C25H43N9O7/c1-13(2)19(26)24(41)34-11-5-8-17(34)22(39)32-15(12-18(35)36)23(40)33-10-4-7-16(33)21(38)31-14(20(27)37)6-3-9-30-25(28)29/h13-17,19H,3-12,26H2,1-2H3,(H2,27,37)(H,31,38)(H,32,39)(H,35,36)(H4,28,29,30)/t14-,15-,16-,17-,19-/m0/s1
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1.42E+5n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(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 0.200n/an/an/an/an/an/a


TBA

Assay Description
This assay is described in Bachovchin et al. Nature Chemical Biology 10, 656-663 (2014). Briefly, purified enzymes are coupled to Luminex microsphere...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28W3J7Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50050516
PNG
(Boronic acid derivative | CHEMBL63726 | US11096924...)
Show SMILES NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C10H22BN3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9,16-17H,1-7,12-13H2/t8-,9-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
This assay is described in Bachovchin et al. Nature Chemical Biology 10, 656-663 (2014). Briefly, purified enzymes are coupled to Luminex microsphere...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28W3J7Z
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 0.200n/an/an/an/an/an/a


TBA

Assay Description
This assay is described in Bachovchin et al. Nature Chemical Biology 10, 656-663 (2014). Briefly, purified enzymes are coupled to Luminex microsphere...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28W3J7Z
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 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))
BDBM50389480
PNG
(CHEMBL2063040)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6@H]-1-[#5](-[#8])-[#8] |r|
Show InChI InChI=1S/C10H22BN5O4/c12-7(2-1-3-15-10(13)14)9(18)16-5-6(17)4-8(16)11(19)20/h6-8,17,19-20H,1-5,12H2,(H4,13,14,15)/t6-,7-,8-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to add...


Bioorg Med Chem Lett 22: 5536-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.033
BindingDB Entry DOI: 10.7270/Q2M909QF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50389480
PNG
(CHEMBL2063040)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6@H]-1-[#5](-[#8])-[#8] |r|
Show InChI InChI=1S/C10H22BN5O4/c12-7(2-1-3-15-10(13)14)9(18)16-5-6(17)4-8(16)11(19)20/h6-8,17,19-20H,1-5,12H2,(H4,13,14,15)/t6-,7-,8-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP9 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to add...


Bioorg Med Chem Lett 22: 5536-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.033
BindingDB Entry DOI: 10.7270/Q2M909QF
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 0.350n/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
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM609784
PNG
(US11707539, Compound 6591)
Show SMILES C[C@@H](NC(=O)c1ccc(CNC(=O)CCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
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n/an/a 0.360n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26D5Z4W
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM609783
PNG
(US11707539, Compound 6590LU)
Show SMILES C[C@@H](NC(=O)c1ccc(NC(=O)CCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26D5Z4W
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 0.460n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to add...


Bioorg Med Chem Lett 22: 5536-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.033
BindingDB Entry DOI: 10.7270/Q2M909QF
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50431243
PNG
(CHEMBL2333025)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-7-1-2-10(16)13(19)20)8-15-12(18)9-3-5-14-6-4-9/h3-6,10,19-20H,1-2,7-8H2,(H,15,18)/t10-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM514526
PNG
(US11096924, DASH-inhibitors 5362 | US11583516, Cmp...)
Show SMILES CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Materials: Enzymes Recombinant human DPPIV (R&D Systems, Cat. No. 1180-SE). Recombinant human DPP8 (Enzo Life Sciences, Cat. No. BML-SE527). Recombin...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27P93BT
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 0.5n/an/an/an/an/an/a


TBA

Assay Description
This assay is described in Bachovchin et al. Nature Chemical Biology 10, 656-663 (2014). Briefly, purified enzymes are coupled to Luminex microsphere...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28W3J7Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM514526
PNG
(US11096924, DASH-inhibitors 5362 | US11583516, Cmp...)
Show SMILES CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
This assay is described in Bachovchin et al. Nature Chemical Biology 10, 656-663 (2014). Briefly, purified enzymes are coupled to Luminex microsphere...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28W3J7Z
More data for this
Ligand-Target Pair
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