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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 = 'BDBM50442198'   
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))
BDBM50442198
PNG
(CHEMBL2441839)
Show SMILES Cc1[nH]c2cn(C[C@@H]3CCCO3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wD:7.6,(24.71,-38.82,;23.38,-39.6,;22.05,-38.83,;20.72,-39.6,;19.24,-39.13,;18.34,-40.39,;16.8,-40.39,;16.02,-39.06,;14.47,-39,;14.06,-37.52,;15.35,-36.67,;16.55,-37.63,;19.25,-41.63,;18.79,-43.1,;20.72,-41.15,;22.05,-41.92,;23.39,-41.15,;24.72,-41.91,;26.05,-41.14,;22.05,-43.46,;20.71,-44.22,;20.71,-45.76,;22.04,-46.53,;22.04,-48.07,;23.38,-45.76,;23.38,-44.22,;24.71,-43.45,)|
Show InChI InChI=1S/C20H21Cl2N3O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)19-17(24-11)10-25(20(19)26)9-13-3-2-6-27-13/h4-5,7,10,13,24H,2-3,6,8-9,23H2,1H3/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


J Med Chem 56: 7343-57 (2013)


Article DOI: 10.1021/jm4008906
BindingDB Entry DOI: 10.7270/Q2N01806
More data for this
Ligand-Target Pair