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BDBM50210666 (R)-ethyl 7-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate::CHEMBL233686

SMILES: CCOC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=WJPONMSVJMVDFW-LLVKDONJSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50210666   
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))
BDBM50210666
PNG
((R)-ethyl 7-(3-amino-4-(2,4,5-trifluorophenyl)buta...)
Show SMILES CCOC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H20F3N5O3/c1-2-29-18(28)17-24-23-15-9-25(3-4-26(15)17)16(27)7-11(22)5-10-6-13(20)14(21)8-12(10)19/h6,8,11H,2-5,7,9,22H2,1H3/t11-/m1/s1
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Article
PubMed
n/an/a 7.80E+4n/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))
BDBM50210666
PNG
((R)-ethyl 7-(3-amino-4-(2,4,5-trifluorophenyl)buta...)
Show SMILES CCOC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H20F3N5O3/c1-2-29-18(28)17-24-23-15-9-25(3-4-26(15)17)16(27)7-11(22)5-10-6-13(20)14(21)8-12(10)19/h6,8,11H,2-5,7,9,22H2,1H3/t11-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.20E+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 4


(Homo sapiens (Human))
BDBM50210666
PNG
((R)-ethyl 7-(3-amino-4-(2,4,5-trifluorophenyl)buta...)
Show SMILES CCOC(=O)c1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H20F3N5O3/c1-2-29-18(28)17-24-23-15-9-25(3-4-26(15)17)16(27)7-11(22)5-10-6-13(20)14(21)8-12(10)19/h6,8,11H,2-5,7,9,22H2,1H3/t11-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 219n/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