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SMILES: F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F

InChI Key: InChIKey=CCAHGNFSCCVYCY-QHUBEEEXSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50251853   
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 4


(Homo sapiens (Human))
BDBM50251853
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(4-(trifluorom...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F4N6O/c18-9-3-10(4-22)27(6-9)14(28)5-24-15-11-7-26(8-12(11)15)16-23-2-1-13(25-16)17(19,20)21/h1-2,9-12,15,24H,3,5-8H2/t9-,10-,11-,12+,15+/m0/s1
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n/an/a 181n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50251853
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(4-(trifluorom...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F4N6O/c18-9-3-10(4-22)27(6-9)14(28)5-24-15-11-7-26(8-12(11)15)16-23-2-1-13(25-16)17(19,20)21/h1-2,9-12,15,24H,3,5-8H2/t9-,10-,11-,12+,15+/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50251853
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(4-(trifluorom...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F4N6O/c18-9-3-10(4-22)27(6-9)14(28)5-24-15-11-7-26(8-12(11)15)16-23-2-1-13(25-16)17(19,20)21/h1-2,9-12,15,24H,3,5-8H2/t9-,10-,11-,12+,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPCE (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50251853
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(4-(trifluorom...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F4N6O/c18-9-3-10(4-22)27(6-9)14(28)5-24-15-11-7-26(8-12(11)15)16-23-2-1-13(25-16)17(19,20)21/h1-2,9-12,15,24H,3,5-8H2/t9-,10-,11-,12+,15+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50251853
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(4-(trifluorom...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F4N6O/c18-9-3-10(4-22)27(6-9)14(28)5-24-15-11-7-26(8-12(11)15)16-23-2-1-13(25-16)17(19,20)21/h1-2,9-12,15,24H,3,5-8H2/t9-,10-,11-,12+,15+/m0/s1
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n/an/a 5.42E+3n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair