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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50338435   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338435
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2-methoxypyrimidi...)
Show SMILES COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/m1/s1
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n/an/a 78n/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))
BDBM50338435
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2-methoxypyrimidi...)
Show SMILES COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/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
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50338435
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2-methoxypyrimidi...)
Show SMILES COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/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


(Homo sapiens (Human))
BDBM50338435
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2-methoxypyrimidi...)
Show SMILES COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/m1/s1
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n/an/a 4.20E+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 8


(Homo sapiens (Human))
BDBM50338435
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2-methoxypyrimidi...)
Show SMILES COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/m1/s1
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n/an/a 4.70E+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