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BDBM50222477 (3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL400954

SMILES: Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F

InChI Key: InChIKey=OXAWPPBELKHOLO-YQDUUYOCSA-N

Data: 8 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 8 hits for monomerid = 50222477   
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
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50222477
PNG
((3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-d...)
Show SMILES Cn1cnc2C(N(CCc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |w:5.27|
Show InChI InChI=1S/C18H18F6N4O/c1-27-8-26-16-14(27)2-3-28(17(16)18(22,23)24)15(29)6-10(25)4-9-5-12(20)13(21)7-11(9)19/h5,7-8,10,17H,2-4,6,25H2,1H3/t10-,17?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5853-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.030
BindingDB Entry DOI: 10.7270/Q2T72J8F
More data for this
Ligand-Target Pair