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Compile Data Set for Download or QSAR

Found 2 hits of ec50 data for polymerid = 1234   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50543535
PNG
(CHEMBL4632639)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2cccc(CN3CCC4N=C(OC4C3)C3CC3)c2)cc1 |c:24|
Show InChI InChI=1S/C29H32N2O4/c1-2-4-24(16-28(32)33)22-9-11-25(12-10-22)34-19-21-6-3-5-20(15-21)17-31-14-13-26-27(18-31)35-29(30-26)23-7-8-23/h3,5-6,9-12,15,23-24,26-27H,7-8,13-14,16-19H2,1H3,(H,32,33)
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PC sid
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n/an/an/an/a 1.20n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115263
BindingDB Entry DOI: 10.7270/Q2T43XN8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50296490
PNG
((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...)
Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r|
Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
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Similars

PDB
Article
PubMed
n/an/an/an/a 112n/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 activity by continuous fluorometric assay


Bioorg Med Chem Lett 19: 4097-101 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.011
BindingDB Entry DOI: 10.7270/Q2513Z7C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)