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BDBM50256768 (S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(thiazolidin-3-yl)pentan-2-aminium 2,2,2-trifluoroacetate::CHEMBL474211

SMILES: [NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=PCIHLFKGYZCGQW-QWRGUYRKSA-O

Data: 3 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 3 hits for monomerid = 50256768   
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))
BDBM50256768
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(th...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C13H20N4O2S/c14-8-10-2-1-5-17(10)13(19)11(15)3-4-12(18)16-6-7-20-9-16/h10-11H,1-7,9,15H2/p+1/t10-,11-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50256768
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(th...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C13H20N4O2S/c14-8-10-2-1-5-17(10)13(19)11(15)3-4-12(18)16-6-7-20-9-16/h10-11H,1-7,9,15H2/p+1/t10-,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50256768
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(th...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C13H20N4O2S/c14-8-10-2-1-5-17(10)13(19)11(15)3-4-12(18)16-6-7-20-9-16/h10-11H,1-7,9,15H2/p+1/t10-,11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair