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BDBM50221448 (R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL401057

SMILES: N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=VCTJXCYUKWWVIH-OAHLLOKOSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50221448   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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PubMed
n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair