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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 9' and Ligand = 'BDBM50221967'   
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 9


(Homo sapiens (Human))
BDBM50221967
PNG
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)
Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221967
PNG
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)
Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


Bioorg Med Chem Lett 17: 5806-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN
More data for this
Ligand-Target Pair