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PubMed code 31413809

Compile data set for download or QSAR
Found 8 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 1


(Homo sapiens (Human))
BDBM50502619
PNG
(CHEMBL4561264)
Show SMILES CS[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4OS/c1-28-20-11-21(25-14-20)22(27)26-19(13-24)10-15-2-6-17(7-3-15)18-8-4-16(12-23)5-9-18/h2-9,19-21,25H,10-11,14H2,1H3,(H,26,27)/t19-,20-,21-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/a 0.398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502622
PNG
(CHEMBL4579467)
Show SMILES F[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C21H19FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,13H2,(H,26,27)/t18-,19-,20-/m0/s1
PDB

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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502621
PNG
(CHEMBL4513306)
Show SMILES O[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C21H20N4O2/c22-11-15-3-7-17(8-4-15)16-5-1-14(2-6-16)9-18(12-23)25-21(27)20-10-19(26)13-24-20/h1-8,18-20,24,26H,9-10,13H2,(H,25,27)/t18-,19-,20-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502616
PNG
(CHEMBL4564319)
Show SMILES O[C@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C21H20N4O2/c22-11-15-3-7-17(8-4-15)16-5-1-14(2-6-16)9-18(12-23)25-21(27)20-10-19(26)13-24-20/h1-8,18-20,24,26H,9-10,13H2,(H,25,27)/t18-,19+,20-/m0/s1
PDB

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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502617
PNG
(CHEMBL4570759)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H20N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12H2,(H,25,26)/t19-,20-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502620
PNG
(CHEMBL4451898)
Show SMILES FC1(F)CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C21H18F2N4O/c22-21(23)10-19(26-13-21)20(28)27-18(12-25)9-14-1-5-16(6-2-14)17-7-3-15(11-24)4-8-17/h1-8,18-19,26H,9-10,13H2,(H,27,28)/t18-,19-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502623
PNG
(CHEMBL4538307)
Show SMILES O[C@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C20H21N3O2/c21-12-17(23-20(25)19-11-18(24)13-22-19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,22,24H,10-11,13H2,(H,23,25)/t17-,18+,19-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
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n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502618
PNG
(CHEMBL4461966)
Show SMILES F[C@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C21H19FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,13H2,(H,26,27)/t18-,19+,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins ...


ACS Med Chem Lett 10: 1222-1227 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00261
BindingDB Entry DOI: 10.7270/Q2WM1HPF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%