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PubMed code 17462890

Compile data set for download or QSAR
Found 4 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 IX


(Homo sapiens (human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 3716-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.031
BindingDB Entry DOI: 10.7270/Q2D21ZTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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Article
PubMed
n/an/a 8.91E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 3716-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.031
BindingDB Entry DOI: 10.7270/Q2D21ZTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 3716-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.031
BindingDB Entry DOI: 10.7270/Q2D21ZTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
PDB

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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 3716-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.031
BindingDB Entry DOI: 10.7270/Q2D21ZTR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%