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BDBM50221447 (R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL399499

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

InChI Key: InChIKey=YLGVHOFWOIUHJN-SECBINFHSA-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 = 50221447   
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 9


(Homo sapiens (Human))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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Article
PubMed
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))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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Article
PubMed
n/an/a 5.40E+4n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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PubMed
n/an/a 59n/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))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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Article
PubMed
n/an/a 6.20E+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