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SMILES: Cc1csc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c12

InChI Key: InChIKey=DJHNXCBJNMGCIR-MRXNPFEDSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50335624   
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))
BDBM50335624
PNG
((R)-2-((2-(3-Aminopiperidin-1-yl)-5-methyl-4-oxoth...)
Show SMILES Cc1csc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c12 |r|
Show InChI InChI=1S/C20H21N5OS/c1-13-12-27-18-17(13)19(26)25(10-15-6-3-2-5-14(15)9-21)20(23-18)24-8-4-7-16(22)11-24/h2-3,5-6,12,16H,4,7-8,10-11,22H2,1H3/t16-/m1/s1
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PC cid
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Similars

Article
PubMed
n/an/a 1.32n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 after 20 mins by fluorescence assay


Eur J Med Chem 46: 71-6 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.016
BindingDB Entry DOI: 10.7270/Q28P61HD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50335624
PNG
((R)-2-((2-(3-Aminopiperidin-1-yl)-5-methyl-4-oxoth...)
Show SMILES Cc1csc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c12 |r|
Show InChI InChI=1S/C20H21N5OS/c1-13-12-27-18-17(13)19(26)25(10-15-6-3-2-5-14(15)9-21)20(23-18)24-8-4-7-16(22)11-24/h2-3,5-6,12,16H,4,7-8,10-11,22H2,1H3/t16-/m1/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9 after 20 mins by fluorescence assay


Eur J Med Chem 46: 71-6 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.016
BindingDB Entry DOI: 10.7270/Q28P61HD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50335624
PNG
((R)-2-((2-(3-Aminopiperidin-1-yl)-5-methyl-4-oxoth...)
Show SMILES Cc1csc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c12 |r|
Show InChI InChI=1S/C20H21N5OS/c1-13-12-27-18-17(13)19(26)25(10-15-6-3-2-5-14(15)9-21)20(23-18)24-8-4-7-16(22)11-24/h2-3,5-6,12,16H,4,7-8,10-11,22H2,1H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8 after 20 mins by fluorescence assay


Eur J Med Chem 46: 71-6 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.016
BindingDB Entry DOI: 10.7270/Q28P61HD
More data for this
Ligand-Target Pair