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BDBM50338429 (R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyridin-3-yl)piperidin-4-yl)ethanamine::CHEMBL1683135

SMILES: Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1

InChI Key: InChIKey=OEBLNQRBMMRVDK-LJQANCHMSA-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 = 50338429   
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))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
Show InChI InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/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))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
Show InChI InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
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Article
PubMed
n/an/a 2.80E+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))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
Show InChI InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
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n/an/a 1.90E+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))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
Show InChI InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
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n/an/a 71n/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))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1 |r|
Show InChI InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.10E+3n/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