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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM11694'   
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))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Dipeptidyl peptidase IV (DPP-IV)


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 6: 1163-1166 (1996)


Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells


J Med Chem 45: 2362-5 (2002)


Article DOI: 10.1021/jm025522z
BindingDB Entry DOI: 10.7270/Q2930SHP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 3.15n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma


J Med Chem 45: 2362-5 (2002)


Article DOI: 10.1021/jm025522z
BindingDB Entry DOI: 10.7270/Q2930SHP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 12n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
More data for this
Ligand-Target Pair