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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 9' and Ligand = 'BDBM50323172'   
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))
BDBM50323172
PNG
(1-(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl...)
Show SMILES CCC(=O)c1cnn2c(c(CN)c(C)nc12)-c1ccc(Cl)cc1Cl |(35.55,5.03,;36.03,3.57,;37.54,3.26,;38.56,4.42,;38.03,1.8,;37.12,.54,;38.05,-.7,;39.51,-.21,;40.84,-.97,;42.18,-.2,;43.51,-.96,;44.84,-.19,;42.17,1.34,;43.51,2.12,;40.84,2.11,;39.5,1.34,;40.85,-2.5,;39.52,-3.27,;39.52,-4.82,;40.86,-5.59,;40.86,-7.13,;42.19,-4.82,;42.19,-3.27,;43.52,-2.49,)|
Show InChI InChI=1S/C17H16Cl2N4O/c1-3-15(24)13-8-21-23-16(11-5-4-10(18)6-14(11)19)12(7-20)9(2)22-17(13)23/h4-6,8H,3,7,20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP89


Bioorg Med Chem Lett 20: 4395-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.063
BindingDB Entry DOI: 10.7270/Q27H1JS8
More data for this
Ligand-Target Pair