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BDBM50118952 2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one::CHEMBL16709::US9115082, 9

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

InChI Key: InChIKey=IHBAVXVTGLANPI-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50118952   
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 (DPP4)


(Homo sapiens (human))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
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US Patent
n/an/a 548n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 2.23E+5n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
PDB
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem

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Similars

Article
PubMed
n/an/a 2.23E+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)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
PDB
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PC cid
PC sid
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PDB
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)