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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 = 'BDBM50324495'   
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))
BDBM50324495
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1csc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-2.95,-5.53,;-1.73,-4.59,;-1.78,-3.05,;-.33,-2.53,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;-.25,-5.02,)|
Show InChI InChI=1S/C19H16Cl2N6OS/c1-9-8-29-19(23-9)26-17(28)15-7-27-16(12-4-3-11(20)5-14(12)21)13(6-22)10(2)24-18(27)25-15/h3-5,7-8H,6,22H2,1-2H3,(H,23,26,28)
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair