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BDBM50326383 (2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]ethyl]pyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile::CHEMBL1243027

SMILES: FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=KITTXCKZJBJAGL-SRVKXCTJSA-N

Data: 5 IC50

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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 = 50326383   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326383
PNG
((2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromet...)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H20F3N7O3/c19-18(20,21)17-25-24-13-9-26(4-5-28(13)17)14(29)7-10-6-12(23-15(10)30)16(31)27-3-1-2-11(27)8-22/h10-12H,1-7,9H2,(H,23,30)/t10-,11-,12-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50326383
PNG
((2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromet...)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H20F3N7O3/c19-18(20,21)17-25-24-13-9-26(4-5-28(13)17)14(29)7-10-6-12(23-15(10)30)16(31)27-3-1-2-11(27)8-22/h10-12H,1-7,9H2,(H,23,30)/t10-,11-,12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP8 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50326383
PNG
((2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromet...)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H20F3N7O3/c19-18(20,21)17-25-24-13-9-26(4-5-28(13)17)14(29)7-10-6-12(23-15(10)30)16(31)27-3-1-2-11(27)8-22/h10-12H,1-7,9H2,(H,23,30)/t10-,11-,12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50326383
PNG
((2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromet...)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H20F3N7O3/c19-18(20,21)17-25-24-13-9-26(4-5-28(13)17)14(29)7-10-6-12(23-15(10)30)16(31)27-3-1-2-11(27)8-22/h10-12H,1-7,9H2,(H,23,30)/t10-,11-,12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP2 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50326383
PNG
((2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromet...)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H20F3N7O3/c19-18(20,21)17-25-24-13-9-26(4-5-28(13)17)14(29)7-10-6-12(23-15(10)30)16(31)27-3-1-2-11(27)8-22/h10-12H,1-7,9H2,(H,23,30)/t10-,11-,12-/m0/s1
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP9 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair