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BDBM50168272 (S)-1-[(S)-2-Amino-4-(4-benzoyl-piperazin-1-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile::CHEMBL190029

SMILES: N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=SOYGWDUWIWWWAW-IRXDYDNUSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50168272   
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 VIII


(Homo sapiens (Human))
BDBM50168272
PNG
((S)-1-[(S)-2-Amino-4-(4-benzoyl-piperazin-1-yl)-4-...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N5O3/c21-14-16-7-4-8-25(16)20(28)17(22)13-18(26)23-9-11-24(12-10-23)19(27)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-13,22H2/t16-,17-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 71n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50168272
PNG
((S)-1-[(S)-2-Amino-4-(4-benzoyl-piperazin-1-yl)-4-...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N5O3/c21-14-16-7-4-8-25(16)20(28)17(22)13-18(26)23-9-11-24(12-10-23)19(27)15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-13,22H2/t16-,17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 123n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair