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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 = 'BDBM50309497'   
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))
BDBM50309497
PNG
((2S,3S,11bS)-9,10-dimethoxy-3-(4-methylpyridin-2-y...)
Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cc(C)ccn1 |r|
Show InChI InChI=1S/C21H27N3O2/c1-13-4-6-23-18(8-13)16-12-24-7-5-14-9-20(25-2)21(26-3)10-15(14)19(24)11-17(16)22/h4,6,8-10,16-17,19H,5,7,11-12,22H2,1-3H3/t16-,17-,19-/m0/s1
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 1106-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.025
BindingDB Entry DOI: 10.7270/Q2SJ1KQ3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50309497
PNG
((2S,3S,11bS)-9,10-dimethoxy-3-(4-methylpyridin-2-y...)
Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cc(C)ccn1 |r|
Show InChI InChI=1S/C21H27N3O2/c1-13-4-6-23-18(8-13)16-12-24-7-5-14-9-20(25-2)21(26-3)10-15(14)19(24)11-17(16)22/h4,6,8-10,16-17,19H,5,7,11-12,22H2,1-3H3/t16-,17-,19-/m0/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 19n/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 1106-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.025
BindingDB Entry DOI: 10.7270/Q2SJ1KQ3
More data for this
Ligand-Target Pair