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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 = 'BDBM98081'   
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))
BDBM98081
PNG
((2S)-2-amino-N-(2-cyclopenta-2,4-dien-1-yl-1-diphe...)
Show SMILES CCC(C)[C@H](N)C(=O)NC(CC1C=CC=C1)P(=O)(Oc1ccccc1)Oc1ccccc1 |c:12,14|
Show InChI InChI=1S/C25H31N2O4P/c1-3-19(2)24(26)25(28)27-23(18-20-12-10-11-13-20)32(29,30-21-14-6-4-7-15-21)31-22-16-8-5-9-17-22/h4-17,19-20,23-24H,3,18,26H2,1-2H3,(H,27,28)/t19?,23?,24-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a>1.25E+5n/an/an/an/a8.30



University of Anterwerp



Assay Description
Inhibitory concentration of the compound against Dipeptidyl peptidase IV (DPP IV) in Homo sapiens (human)is measured


J Comb Chem 5: 336-44 (2003)


Article DOI: 10.1021/cc020096o
BindingDB Entry DOI: 10.7270/Q2PV6J1S
More data for this
Ligand-Target Pair