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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 = 'BDBM107101'   
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))
BDBM107101
PNG
(US8592371, 3)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-9-12-8-26-28(20(12)10-27)32(29,30)14-3-1-2-4-14/h6-8,13-14,19,21H,1-5,9-11,25H2/t13-,19+,21?/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 2.60n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair