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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 = 'BDBM222957'   
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))
BDBM222957
PNG
(US9315508, 2)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H]([C@H]2CC12)c1cc(F)ccc1F
Show InChI InChI=1/C19H22F2N4O2S/c1-28(26,27)25-8-10-7-24(9-17(10)23-25)18-6-16(22)19(13-5-12(13)18)14-4-11(20)2-3-15(14)21/h2-4,8,12-13,16,18-19H,5-7,9,22H2,1H3/t12?,13-,16-,18+,19+/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/a7.525



Merck Sharp & Dohme Corp

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


US Patent US9315508 (2016)


BindingDB Entry DOI: 10.7270/Q2QJ7G5B
More data for this
Ligand-Target Pair