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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM222244'   
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))
BDBM222244
PNG
(6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27|
Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+
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PC cid
PC sid
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Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)



Assay Description
The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). D...


Bioorg Chem 71: 181-191 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.004
BindingDB Entry DOI: 10.7270/Q2PR7TTR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM222244
PNG
(6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27|
Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+
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PC cid
PC sid
UniChem
n/an/a 0.760n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM222244
PNG
(6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27|
Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin) using H-Gly-Pro-AMC as substrate


Eur J Med Chem 151: 145-157 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.041
BindingDB Entry DOI: 10.7270/Q2CZ39SV
More data for this
Ligand-Target Pair