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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 = 'BDBM50166321'   
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


(Rattus norvegicus (rat))
BDBM50166321
PNG
((S)-1-((2S,4S)-4-Benzylamino-pyrrolidine-2-carbony...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)NCc1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H22N4O/c18-10-15-7-4-8-21(15)17(22)16-9-14(12-20-16)19-11-13-5-2-1-3-6-13/h1-3,5-6,14-16,19-20H,4,7-9,11-12H2/t14-,15-,16-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166321
PNG
((S)-1-((2S,4S)-4-Benzylamino-pyrrolidine-2-carbony...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)NCc1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H22N4O/c18-10-15-7-4-8-21(15)17(22)16-9-14(12-20-16)19-11-13-5-2-1-3-6-13/h1-3,5-6,14-16,19-20H,4,7-9,11-12H2/t14-,15-,16-/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 4.60n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair