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BDBM50222484 (3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one::CHEMBL250285

SMILES: Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=SHXFVDFLOALCAW-UJONTBEJSA-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 = 50222484   
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 2 (DPP II)


(Homo sapiens (Human))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/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 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 VIII


(Homo sapiens (Human))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/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 VIII


(Homo sapiens (Human))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/m1/s1
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n/an/a 4.60E+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))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/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))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/m1/s1
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n/an/a 780n/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 4


(Homo sapiens (Human))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/m1/s1
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n/an/a 5.80n/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))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/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))
BDBM50222484
PNG
((3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluorome...)
Show SMILES Cn1c2CCN(C(Cc3ccc(F)cc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6|
Show InChI InChI=1S/C25H23F7N4O/c1-35-20-6-7-36(22(37)11-16(33)9-14-10-18(28)19(29)12-17(14)27)21(8-13-2-4-15(26)5-3-13)23(20)34-24(35)25(30,31)32/h2-5,10,12,16,21H,6-9,11,33H2,1H3/t16-,21?/m1/s1
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n/an/a 1.50E+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