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SMILES: [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=MOTWXMLKPRYXNR-VGBQHSPPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50251467   
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))
BDBM50251467
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)
Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/m0/s1
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n/an/a 78n/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 2


(Homo sapiens (Human))
BDBM50251467
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)
Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/m0/s1
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n/an/a 6.42E+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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50251467
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)
Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/m0/s1
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n/an/a>1.00E+4n/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 9


(Homo sapiens (Human))
BDBM50251467
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)
Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/m0/s1
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n/an/a 525n/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
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50251467
PNG
((2S,4S)-4-fluoro-1-(2-((1S,5R,6s)-3-(3-nitropyridi...)
Show SMILES [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H19FN6O3/c18-10-4-11(5-19)23(7-10)15(25)6-21-16-12-8-22(9-13(12)16)17-14(24(26)27)2-1-3-20-17/h1-3,10-13,16,21H,4,6-9H2/t10-,11-,12-,13+,16+/m0/s1
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Article
PubMed
n/an/a 3.40E+3n/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