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BDBM50118950 (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine::(S)-2,4-Diamino-1-piperidin-1-yl-butan-1-one::CHEMBL93505::Dab-Pip

SMILES: NCC[C@H](N)C(=O)N1CCCCC1

InChI Key: InChIKey=RKBKYSFKXFKBBM-SVGMAFHSNA-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 = 50118950   
Target
(Institution)
LigandTarget
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))
BDBM50118950
PNG
((3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | (S...)
Show SMILES NCC[C@H](N)C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/s2
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.00E+6n/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)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118950
PNG
((3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | (S...)
Show SMILES NCC[C@H](N)C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/s2
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
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PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 130n/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)

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


(Homo sapiens (Human))
BDBM50118950
PNG
((3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | (S...)
Show SMILES NCC[C@H](N)C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/s2
PDB
MMDB

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antibodypedia
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PC sid
PDB
UniChem

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AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)

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


(Homo sapiens (Human))
BDBM50118950
PNG
((3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | (S...)
Show SMILES NCC[C@H](N)C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
MMDB
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PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50118950
PNG
((3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | (S...)
Show SMILES NCC[C@H](N)C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase IV (DPP IV)


J Med Chem 47: 2906-16 (2004)

More data for this
Ligand-Target Pair