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BDBM50302970 (R)-3-amino-1-((S)-2-(5-(1-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL585290

SMILES: N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=IBCCTHCYTJUQQX-ABAIWWIYSA-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 = 50302970   
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 2 (DPP II)


(Homo sapiens (Human))
BDBM50302970
PNG
((R)-3-amino-1-((S)-2-(5-(1-fluorocyclopropyl)-1,2,...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F4N4O2/c20-12-9-14(22)13(21)7-10(12)6-11(24)8-16(28)27-5-1-2-15(27)17-25-18(29-26-17)19(23)3-4-19/h7,9,11,15H,1-6,8,24H2/t11-,15+/m1/s1
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP7


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50302970
PNG
((R)-3-amino-1-((S)-2-(5-(1-fluorocyclopropyl)-1,2,...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F4N4O2/c20-12-9-14(22)13(21)7-10(12)6-11(24)8-16(28)27-5-1-2-15(27)17-25-18(29-26-17)19(23)3-4-19/h7,9,11,15H,1-6,8,24H2/t11-,15+/m1/s1
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP9 expressed in baculovirus system after 30 mins by continuous fluorescent assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50302970
PNG
((R)-3-amino-1-((S)-2-(5-(1-fluorocyclopropyl)-1,2,...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F4N4O2/c20-12-9-14(22)13(21)7-10(12)6-11(24)8-16(28)27-5-1-2-15(27)17-25-18(29-26-17)19(23)3-4-19/h7,9,11,15H,1-6,8,24H2/t11-,15+/m1/s1
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Reactome pathway
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50302970
PNG
((R)-3-amino-1-((S)-2-(5-(1-fluorocyclopropyl)-1,2,...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F4N4O2/c20-12-9-14(22)13(21)7-10(12)6-11(24)8-16(28)27-5-1-2-15(27)17-25-18(29-26-17)19(23)3-4-19/h7,9,11,15H,1-6,8,24H2/t11-,15+/m1/s1
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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP8 expressed in baculovirus system after 15 mins by continuous fluorescent assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50302970
PNG
((R)-3-amino-1-((S)-2-(5-(1-fluorocyclopropyl)-1,2,...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F4N4O2/c20-12-9-14(22)13(21)7-10(12)6-11(24)8-16(28)27-5-1-2-15(27)17-25-18(29-26-17)19(23)3-4-19/h7,9,11,15H,1-6,8,24H2/t11-,15+/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 7.20E+4n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli after 30 mins by continuous fluorescent assay


Bioorg Med Chem Lett 19: 6340-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.078
BindingDB Entry DOI: 10.7270/Q2WS8TB2
More data for this
Ligand-Target Pair