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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 = 'BDBM50221445'   
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))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair