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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 = 'BDBM50129943'   
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))
BDBM50129943
PNG
(1-[2-(3,5-Dimethyl-adamantan-1-ylamino)-acetyl]-py...)
Show SMILES C[C@@]12C[C@H]3C[C@@](C)(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:5:11:3.10.2,4:3:11:5.8.7,0:1:8:3.10.4,THB:2:1:8:3.10.4,2:3:8:1.11.7|
Show InChI InChI=1S/C19H29N3O/c1-17-6-14-7-18(2,11-17)13-19(8-14,12-17)21-10-16(23)22-5-3-4-15(22)9-20/h14-15,21H,3-8,10-13H2,1-2H3/t14-,15-,17+,18-,19?/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair