BindingDB logo
myBDB logout

BDBM50221455 (R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL251376

SMILES: C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=FDEXEPZGMKFCTG-WCBMZHEXSA-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 = 50221455   
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))
BDBM50221455
PNG
((R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,...)
Show SMILES C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 274n/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 9


(Homo sapiens (Human))
BDBM50221455
PNG
((R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,...)
Show SMILES C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 VIII


(Homo sapiens (Human))
BDBM50221455
PNG
((R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,...)
Show SMILES C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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 2 (DPP II)


(Homo sapiens (Human))
BDBM50221455
PNG
((R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,...)
Show SMILES C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+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