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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50214721'   
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 4


(Homo sapiens (Human))
BDBM50214721
PNG
(2-(adamantan-1-ylamino)-1-[(S)-4,4-difluoro-2-(5-m...)
Show SMILES Cc1nnc(o1)C(=O)[C@@H]1CC(F)(F)CN1C(=O)CNC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C20H26F2N4O3/c1-11-24-25-18(29-11)17(28)15-8-20(21,22)10-26(15)16(27)9-23-19-5-12-2-13(6-19)4-14(3-12)7-19/h12-15,23H,2-10H2,1H3/t12?,13?,14?,15-,19?/m0/s1
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MMDB

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Article
PubMed
n/an/a 680n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 4167-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.046
BindingDB Entry DOI: 10.7270/Q2611006
More data for this
Ligand-Target Pair