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BDBM50210663 (R)-3-amino-4-(2-fluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butan-1-one::CHEMBL388475

SMILES: N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F

InChI Key: InChIKey=ZLZZDLNHNLSAJF-LLVKDONJSA-N

Data: 5 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 5 hits for monomerid = 50210663   
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))
BDBM50210663
PNG
((R)-3-amino-4-(2-fluorophenyl)-1-(3-(trifluorometh...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F |r|
Show InChI InChI=1S/C16H17F4N5O/c17-12-4-2-1-3-10(12)7-11(21)8-14(26)24-5-6-25-13(9-24)22-23-15(25)16(18,19)20/h1-4,11H,5-9,21H2/t11-/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 activity


Bioorg Med Chem Lett 17: 3373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.098
BindingDB Entry DOI: 10.7270/Q2W37W04
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50210663
PNG
((R)-3-amino-4-(2-fluorophenyl)-1-(3-(trifluorometh...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F |r|
Show InChI InChI=1S/C16H17F4N5O/c17-12-4-2-1-3-10(12)7-11(21)8-14(26)24-5-6-25-13(9-24)22-23-15(25)16(18,19)20/h1-4,11H,5-9,21H2/t11-/m1/s1
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Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 activity


Bioorg Med Chem Lett 17: 3373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.098
BindingDB Entry DOI: 10.7270/Q2W37W04
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50210663
PNG
((R)-3-amino-4-(2-fluorophenyl)-1-(3-(trifluorometh...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F |r|
Show InChI InChI=1S/C16H17F4N5O/c17-12-4-2-1-3-10(12)7-11(21)8-14(26)24-5-6-25-13(9-24)22-23-15(25)16(18,19)20/h1-4,11H,5-9,21H2/t11-/m1/s1
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PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 3706-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.061
BindingDB Entry DOI: 10.7270/Q24T6J6Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50210663
PNG
((R)-3-amino-4-(2-fluorophenyl)-1-(3-(trifluorometh...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F |r|
Show InChI InChI=1S/C16H17F4N5O/c17-12-4-2-1-3-10(12)7-11(21)8-14(26)24-5-6-25-13(9-24)22-23-15(25)16(18,19)20/h1-4,11H,5-9,21H2/t11-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 3706-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.061
BindingDB Entry DOI: 10.7270/Q24T6J6Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50210663
PNG
((R)-3-amino-4-(2-fluorophenyl)-1-(3-(trifluorometh...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccccc1F |r|
Show InChI InChI=1S/C16H17F4N5O/c17-12-4-2-1-3-10(12)7-11(21)8-14(26)24-5-6-25-13(9-24)22-23-15(25)16(18,19)20/h1-4,11H,5-9,21H2/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4 activity


Bioorg Med Chem Lett 17: 3373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.098
BindingDB Entry DOI: 10.7270/Q2W37W04
More data for this
Ligand-Target Pair