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PubMed code 17055271

Compile data set for download or QSAR
Found 18 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))
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 0.100n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50196928
PNG
((R)-1-((S)-2,4-diaminobutanamido)pentylboronic aci...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
Show InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50196929
PNG
((S)-2,4-diamino-1-((3aR,6aR)-hexahydrocyclopenta[b...)
Show SMILES NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C11H21N3O/c12-6-4-9(13)11(15)14-7-5-8-2-1-3-10(8)14/h8-10H,1-7,12-13H2/t8-,9+,10-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
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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n/an/a 2n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
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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n/an/a 17n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(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 24n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(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 30n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50196928
PNG
((R)-1-((S)-2,4-diaminobutanamido)pentylboronic aci...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
Show InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50196928
PNG
((R)-1-((S)-2,4-diaminobutanamido)pentylboronic aci...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
Show InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(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 7.96E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of prolyl oligopeptidase


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50196929
PNG
((S)-2,4-diamino-1-((3aR,6aR)-hexahydrocyclopenta[b...)
Show SMILES NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C11H21N3O/c12-6-4-9(13)11(15)14-7-5-8-2-1-3-10(8)14/h8-10H,1-7,12-13H2/t8-,9+,10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of prolyl oligopeptidase


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50196928
PNG
((R)-1-((S)-2,4-diaminobutanamido)pentylboronic aci...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
Show InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of prolyl oligopeptidase


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50196929
PNG
((S)-2,4-diamino-1-((3aR,6aR)-hexahydrocyclopenta[b...)
Show SMILES NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C11H21N3O/c12-6-4-9(13)11(15)14-7-5-8-2-1-3-10(8)14/h8-10H,1-7,12-13H2/t8-,9+,10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50196929
PNG
((S)-2,4-diamino-1-((3aR,6aR)-hexahydrocyclopenta[b...)
Show SMILES NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C11H21N3O/c12-6-4-9(13)11(15)14-7-5-8-2-1-3-10(8)14/h8-10H,1-7,12-13H2/t8-,9+,10-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50196929
PNG
((S)-2,4-diamino-1-((3aR,6aR)-hexahydrocyclopenta[b...)
Show SMILES NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C11H21N3O/c12-6-4-9(13)11(15)14-7-5-8-2-1-3-10(8)14/h8-10H,1-7,12-13H2/t8-,9+,10-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50196928
PNG
((R)-1-((S)-2,4-diaminobutanamido)pentylboronic aci...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
Show InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50196928
PNG
((R)-1-((S)-2,4-diaminobutanamido)pentylboronic aci...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
Show InChI InChI=1S/C9H22BN3O3/c1-2-3-4-8(10(15)16)13-9(14)7(12)5-6-11/h7-8,15-16H,2-6,11-12H2,1H3,(H,13,14)/t7-,8-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50196929
PNG
((S)-2,4-diamino-1-((3aR,6aR)-hexahydrocyclopenta[b...)
Show SMILES NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C11H21N3O/c12-6-4-9(13)11(15)14-7-5-8-2-1-3-10(8)14/h8-10H,1-7,12-13H2/t8-,9+,10-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%