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BDBM50118936 2-Amino-3-methyl-1-piperidin-1-yl-pentan-1-one::3-methyl-1-oxo-1-piperidin-1-ylpentan-2-aminium::CHEMBL93507

SMILES: CCC(C)C(N)C(=O)N1CCCCC1

InChI Key: InChIKey=CGPFEPGLMSJJPP-UHFFFAOYSA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50118936   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50118936
PNG
(2-Amino-3-methyl-1-piperidin-1-yl-pentan-1-one | 3...)
Show SMILES CCC(C)C(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3
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Article
PubMed
5.62E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) for human intestinal peptide carrier


J Med Chem 46: 5725-34 (2003)


Article DOI: 10.1021/jm030976x
BindingDB Entry DOI: 10.7270/Q22N531C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118936
PNG
(2-Amino-3-methyl-1-piperidin-1-yl-pentan-1-one | 3...)
Show SMILES CCC(C)C(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3
PDB
MMDB

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PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


Bioorg Med Chem Lett 12: 2825-8 (2002)


BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118936
PNG
(2-Amino-3-methyl-1-piperidin-1-yl-pentan-1-one | 3...)
Show SMILES CCC(C)C(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3
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Article
PubMed
n/an/a 5.90E+4n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118936
PNG
(2-Amino-3-methyl-1-piperidin-1-yl-pentan-1-one | 3...)
Show SMILES CCC(C)C(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3
PDB
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV.


Bioorg Med Chem Lett 12: 2825-8 (2002)


BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118936
PNG
(2-Amino-3-methyl-1-piperidin-1-yl-pentan-1-one | 3...)
Show SMILES CCC(C)C(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.70E+4n/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