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BDBM50135066 Benzoic acid 1-(2,6-diamino-hexanoyl)-pyrrolidin-3-yl ester::CHEMBL145855

SMILES: NCCCCC(N)C(=O)N1CCC(C1)OC(=O)c1ccccc1

InChI Key: InChIKey=AFEZJQWQIKOSCC-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50135066   
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))
BDBM50135066
PNG
(Benzoic acid 1-(2,6-diamino-hexanoyl)-pyrrolidin-3...)
Show SMILES NCCCCC(N)C(=O)N1CCC(C1)OC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c18-10-5-4-8-15(19)16(21)20-11-9-14(12-20)23-17(22)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,18-19H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/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))
BDBM50135066
PNG
(Benzoic acid 1-(2,6-diamino-hexanoyl)-pyrrolidin-3...)
Show SMILES NCCCCC(N)C(=O)N1CCC(C1)OC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c18-10-5-4-8-15(19)16(21)20-11-9-14(12-20)23-17(22)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,18-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.81E+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