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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM12183'   
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))
BDBM12183
PNG
((2S)-1-[(2S)-2-amino-4-{4-[bis(4-fluorophenyl)meth...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C26H29F2N5O2/c27-20-7-3-18(4-8-20)25(19-5-9-21(28)10-6-19)32-14-12-31(13-15-32)24(34)16-23(30)26(35)33-11-1-2-22(33)17-29/h3-10,22-23,25H,1-2,11-16,30H2/t22-,23-/m0/s1
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Article
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n/an/a 227n/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))
BDBM12183
PNG
((2S)-1-[(2S)-2-amino-4-{4-[bis(4-fluorophenyl)meth...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C26H29F2N5O2/c27-20-7-3-18(4-8-20)25(19-5-9-21(28)10-6-19)32-14-12-31(13-15-32)24(34)16-23(30)26(35)33-11-1-2-22(33)17-29/h3-10,22-23,25H,1-2,11-16,30H2/t22-,23-/m0/s1
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n/an/a 274n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12183
PNG
((2S)-1-[(2S)-2-amino-4-{4-[bis(4-fluorophenyl)meth...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C26H29F2N5O2/c27-20-7-3-18(4-8-20)25(19-5-9-21(28)10-6-19)32-14-12-31(13-15-32)24(34)16-23(30)26(35)33-11-1-2-22(33)17-29/h3-10,22-23,25H,1-2,11-16,30H2/t22-,23-/m0/s1
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PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair