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BDBM50338426 (R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)piperidin-4-yl)ethanamine::CHEMBL1683132

SMILES: N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1

InChI Key: InChIKey=OQPAUPGYUAEVCV-GOSISDBHSA-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 = 50338426   
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))
BDBM50338426
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C18H21F2N3/c19-15-3-4-17(20)14(10-15)11-18(21)13-5-8-23(9-6-13)16-2-1-7-22-12-16/h1-4,7,10,12-13,18H,5-6,8-9,11,21H2/t18-/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))
BDBM50338426
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C18H21F2N3/c19-15-3-4-17(20)14(10-15)11-18(21)13-5-8-23(9-6-13)16-2-1-7-22-12-16/h1-4,7,10,12-13,18H,5-6,8-9,11,21H2/t18-/m1/s1
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PubMed
n/an/a 3.70E+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))
BDBM50338426
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C18H21F2N3/c19-15-3-4-17(20)14(10-15)11-18(21)13-5-8-23(9-6-13)16-2-1-7-22-12-16/h1-4,7,10,12-13,18H,5-6,8-9,11,21H2/t18-/m1/s1
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n/an/a 3.00E+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))
BDBM50338426
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C18H21F2N3/c19-15-3-4-17(20)14(10-15)11-18(21)13-5-8-23(9-6-13)16-2-1-7-22-12-16/h1-4,7,10,12-13,18H,5-6,8-9,11,21H2/t18-/m1/s1
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n/an/a 110n/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))
BDBM50338426
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1 |r|
Show InChI InChI=1S/C18H21F2N3/c19-15-3-4-17(20)14(10-15)11-18(21)13-5-8-23(9-6-13)16-2-1-7-22-12-16/h1-4,7,10,12-13,18H,5-6,8-9,11,21H2/t18-/m1/s1
PDB

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Article
PubMed
n/an/a 1.60E+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