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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM11557'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11557
PNG
((2S)-1-[(3R)-3-amino-4-phenylbutanoyl]-N-({5-chlor...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H33ClN4O4/c28-20-8-11-24(36-17-25(33)31-22-9-10-22)19(14-20)16-30-27(35)23-7-4-12-32(23)26(34)15-21(29)13-18-5-2-1-3-6-18/h1-3,5-6,8,11,14,21-23H,4,7,9-10,12-13,15-17,29H2,(H,30,35)(H,31,33)/t21-,23+/m1/s1
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4759-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.099
BindingDB Entry DOI: 10.7270/Q2XK8F1Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11557
PNG
((2S)-1-[(3R)-3-amino-4-phenylbutanoyl]-N-({5-chlor...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H33ClN4O4/c28-20-8-11-24(36-17-25(33)31-22-9-10-22)19(14-20)16-30-27(35)23-7-4-12-32(23)26(34)15-21(29)13-18-5-2-1-3-6-18/h1-3,5-6,8,11,14,21-23H,4,7,9-10,12-13,15-17,29H2,(H,30,35)(H,31,33)/t21-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.425



Santhera Pharmaceuticals



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...


Bioorg Med Chem Lett 16: 1744-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.103
BindingDB Entry DOI: 10.7270/Q2639MZX
More data for this
Ligand-Target Pair