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BDBM50222468 (3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL250204

SMILES: CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=LYBMCJPGVRWSJK-ZRKZCGFPSA-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 = 50222468   
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))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/m1/s1
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n/an/a 5.50E+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))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/m1/s1
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n/an/a 8.90E+4n/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))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/m1/s1
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n/an/a 60n/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 VIII


(Homo sapiens (Human))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/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))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/m1/s1
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n/an/a 9.30E+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))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/m1/s1
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n/an/a 610n/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 9


(Homo sapiens (Human))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/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 2 (DPP II)


(Homo sapiens (Human))
BDBM50222468
PNG
((3R)-3-amino-1-(4-ethyl-1-methyl-2-(trifluoromethy...)
Show SMILES CCC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1|
Show InChI InChI=1S/C20H22F6N4O/c1-3-15-18-16(29(2)19(28-18)20(24,25)26)4-5-30(15)17(31)8-11(27)6-10-7-13(22)14(23)9-12(10)21/h7,9,11,15H,3-6,8,27H2,1-2H3/t11-,15?/m1/s1
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PubMed
n/an/a 4.50E+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