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BDBM50146973 2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidin-1-yl-butan-1-one::CHEMBL418979

SMILES: N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1

InChI Key: InChIKey=DBFUBXPSMBLOSK-NRFANRHFSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50146973   
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


(Homo sapiens (Human))
BDBM50146973
PNG
(2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidi...)
Show SMILES N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H31N3O2/c24-21(23(27)26-15-7-2-8-16-26)13-14-25-17-20-11-5-6-12-22(20)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,21,25H,2,7-8,13-18,24H2/t21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+5n/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)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146973
PNG
(2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidi...)
Show SMILES N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H31N3O2/c24-21(23(27)26-15-7-2-8-16-26)13-14-25-17-20-11-5-6-12-22(20)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,21,25H,2,7-8,13-18,24H2/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.390n/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)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair