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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50151843'   
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))
BDBM50151843
PNG
((R)-3-Amino-1-((R)-2-benzyl-piperazin-1-yl)-4-(2-f...)
Show SMILES N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1
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Article
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n/an/a 139n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV


Bioorg Med Chem Lett 14: 4763-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.065
BindingDB Entry DOI: 10.7270/Q2ST7PBF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50151843
PNG
((R)-3-Amino-1-((R)-2-benzyl-piperazin-1-yl)-4-(2-f...)
Show SMILES N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1
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n/an/a 139n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50151843
PNG
((R)-3-Amino-1-((R)-2-benzyl-piperazin-1-yl)-4-(2-f...)
Show SMILES N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1
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PubMed
n/an/a 139n/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))
BDBM50151843
PNG
((R)-3-Amino-1-((R)-2-benzyl-piperazin-1-yl)-4-(2-f...)
Show SMILES N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1
PDB
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Article
PubMed
n/an/a 139n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


J Med Chem 51: 589-602 (2008)


Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M
More data for this
Ligand-Target Pair