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BDBM50135065 2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one::CHEMBL17041::US9115082, 10

SMILES: CCC(C)C(N)C(=O)N1CCCC1

InChI Key: InChIKey=IMCMJLZQYAUSFW-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50135065   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50135065
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one | ...)
Show SMILES CCC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3
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MMDB

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US Patent
n/an/a 2.00E+3n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Porphyromonas gingivalis)
BDBM50135065
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one | ...)
Show SMILES CCC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50135065
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one | ...)
Show SMILES CCC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50135065
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one | ...)
Show SMILES CCC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3
PDB
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PC sid
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Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair