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BDBM50338438 3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)cyclohexanecarboxylic acid::CHEMBL1683144

SMILES: N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O

InChI Key: InChIKey=OUYYJIKUXWSIGZ-ITXXBFQVSA-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 = 50338438   
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))
BDBM50338438
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H28F2N2O2/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-24(9-7-13)17-3-1-2-14(11-17)20(25)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H,25,26)/t14?,17?,19-/m1/s1
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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))
BDBM50338438
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H28F2N2O2/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-24(9-7-13)17-3-1-2-14(11-17)20(25)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H,25,26)/t14?,17?,19-/m1/s1
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n/an/a 8.50E+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))
BDBM50338438
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H28F2N2O2/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-24(9-7-13)17-3-1-2-14(11-17)20(25)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H,25,26)/t14?,17?,19-/m1/s1
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n/an/a 7.20E+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))
BDBM50338438
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H28F2N2O2/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-24(9-7-13)17-3-1-2-14(11-17)20(25)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H,25,26)/t14?,17?,19-/m1/s1
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n/an/a 51n/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))
BDBM50338438
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O |r|
Show InChI InChI=1S/C20H28F2N2O2/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-24(9-7-13)17-3-1-2-14(11-17)20(25)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H,25,26)/t14?,17?,19-/m1/s1
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n/an/a 2.30E+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