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BDBM50338428 (R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)nicotinonitrile::CHEMBL1683134

SMILES: N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N

InChI Key: InChIKey=FUAFKUHWQPVRHZ-LJQANCHMSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50338428   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50338428
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|
Show InChI InChI=1S/C19H20F2N4/c20-16-1-2-18(21)15(8-16)9-19(23)14-3-5-25(6-4-14)17-7-13(10-22)11-24-12-17/h1-2,7-8,11-12,14,19H,3-6,9,23H2/t19-/m1/s1
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Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50338428
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|
Show InChI InChI=1S/C19H20F2N4/c20-16-1-2-18(21)15(8-16)9-19(23)14-3-5-25(6-4-14)17-7-13(10-22)11-24-12-17/h1-2,7-8,11-12,14,19H,3-6,9,23H2/t19-/m1/s1
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Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50338428
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|
Show InChI InChI=1S/C19H20F2N4/c20-16-1-2-18(21)15(8-16)9-19(23)14-3-5-25(6-4-14)17-7-13(10-22)11-24-12-17/h1-2,7-8,11-12,14,19H,3-6,9,23H2/t19-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338428
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|
Show InChI InChI=1S/C19H20F2N4/c20-16-1-2-18(21)15(8-16)9-19(23)14-3-5-25(6-4-14)17-7-13(10-22)11-24-12-17/h1-2,7-8,11-12,14,19H,3-6,9,23H2/t19-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50338428
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N |r|
Show InChI InChI=1S/C19H20F2N4/c20-16-1-2-18(21)15(8-16)9-19(23)14-3-5-25(6-4-14)17-7-13(10-22)11-24-12-17/h1-2,7-8,11-12,14,19H,3-6,9,23H2/t19-/m1/s1
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair