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PubMed code 30056037

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50463323
PNG
(CHEMBL4247814)
Show SMILES [H][C@@]12CC[C@@](C)([C@@H](C1)NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,THB:8:6:3.2:19|
Show InChI InChI=1S/C17H27N3O/c1-16(2)12-6-7-17(16,3)14(9-12)19-11-15(21)20-8-4-5-13(20)10-18/h12-14,19H,4-9,11H2,1-3H3/t12-,13+,14-,17+/m1/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate measured after 10 mins


Bioorg Med Chem 26: 4402-4409 (2018)


Article DOI: 10.1016/j.bmc.2018.07.018
BindingDB Entry DOI: 10.7270/Q2RV0RBN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50463326
PNG
(CHEMBL4242321)
Show SMILES [H][C@]12CC[C@](C)([C@H](C1)NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,THB:8:6:2.3:19|
Show InChI InChI=1S/C17H27N3O/c1-16(2)12-6-7-17(16,3)14(9-12)19-11-15(21)20-8-4-5-13(20)10-18/h12-14,19H,4-9,11H2,1-3H3/t12-,13-,14-,17+/m0/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate measured after 10 mins


Bioorg Med Chem 26: 4402-4409 (2018)


Article DOI: 10.1016/j.bmc.2018.07.018
BindingDB Entry DOI: 10.7270/Q2RV0RBN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50463324
PNG
(CHEMBL4238607)
Show SMILES [H][C@]12CC[C@](C)([C@@H](O)[C@H]1NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,TLB:7:6:3.2:20,THB:9:8:3.2:20|
Show InChI InChI=1S/C17H27N3O2/c1-16(2)12-6-7-17(16,3)15(22)14(12)19-10-13(21)20-8-4-5-11(20)9-18/h11-12,14-15,19,22H,4-8,10H2,1-3H3/t11-,12-,14-,15-,17+/m0/s1
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n/an/a 7.58E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate measured after 10 mins


Bioorg Med Chem 26: 4402-4409 (2018)


Article DOI: 10.1016/j.bmc.2018.07.018
BindingDB Entry DOI: 10.7270/Q2RV0RBN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50463325
PNG
(CHEMBL4238169)
Show SMILES [H][C@]12CC[C@](C)(C(=O)[C@H]1NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,TLB:7:6:3.2:20,THB:9:8:3.2:20|
Show InChI InChI=1S/C17H25N3O2/c1-16(2)12-6-7-17(16,3)15(22)14(12)19-10-13(21)20-8-4-5-11(20)9-18/h11-12,14,19H,4-8,10H2,1-3H3/t11-,12-,14-,17+/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate measured after 10 mins


Bioorg Med Chem 26: 4402-4409 (2018)


Article DOI: 10.1016/j.bmc.2018.07.018
BindingDB Entry DOI: 10.7270/Q2RV0RBN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%