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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'peters' and Initial = 'de'   
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))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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PubMed
0.180n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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2n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253621
PNG
((S)-4-amino-5-((R)-2-boronopyrrolidin-1-yl)-5-oxop...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H17BN2O5/c11-6(3-4-8(13)14)9(15)12-5-1-2-7(12)10(16)17/h6-7,16-17H,1-5,11H2,(H,13,14)/t6-,7-/m0/s1
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11n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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17n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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50n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50171556
PNG
((R)-1-((S)-2-amino-3-methylbutanamido)ethylboronic...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|
Show InChI InChI=1S/C7H17BN2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6,12-13H,9H2,1-3H3,(H,10,11)/t5-,6-/m0/s1
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96n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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140n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253640
PNG
((R)-1-((S)-2,5-diamino-5-oxopentanamido)ethylboron...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)B(O)O |r|
Show InChI InChI=1S/C7H16BN3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5,14-15H,2-3,9H2,1H3,(H2,10,12)(H,11,13)/t4-,5-/m0/s1
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260n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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880n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
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Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human placental DPP4


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005111
PNG
(CHEMBL3086656)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C27H49N9O5/c1-15(2)19(28)24(40)35-13-7-11-18(35)23(39)34-20(27(3,4)5)25(41)36-14-8-10-17(36)22(38)33-16(21(29)37)9-6-12-32-26(30)31/h15-20H,6-14,28H2,1-5H3,(H2,29,37)(H,33,38)(H,34,39)(H4,30,31,32)/t16-,17-,18-,19-,20?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005109
PNG
(CHEMBL3086660)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C192H290N54O55S/c1-18-97(8)150(180(294)236-131(85-142(195)254)169(283)227-125(77-95(4)5)165(279)228-126(78-96(6)7)172(286)240-151(102(13)248)181(295)223-122(34-24-69-210-191(204)205)186(300)245-73-28-37-139(245)177(291)222-117(33-23-68-209-190(202)203)158(272)225-123(153(197)267)80-104-42-52-110(250)53-43-104)239-173(287)129(83-107-48-58-113(253)59-49-107)231-168(282)130(84-108-90-206-93-212-108)232-160(274)116(32-22-67-208-189(200)201)220-164(278)124(76-94(2)3)226-156(270)99(10)214-174(288)136(92-247)238-167(281)128(82-106-46-56-112(252)57-47-106)230-166(280)127(81-105-44-54-111(251)55-45-105)229-159(273)115(31-21-66-207-188(198)199)218-154(268)98(9)213-157(271)120(64-75-302-17)221-170(284)133(88-148(263)264)234-162(276)119(61-63-146(259)260)219-155(269)100(11)215-176(290)138-36-26-70-242(138)183(297)101(12)216-163(277)132(87-147(261)262)233-161(275)118(60-62-145(257)258)217-144(256)91-211-175(289)137-35-25-72-244(137)187(301)135(86-143(196)255)237-171(285)134(89-149(265)266)235-178(292)140-38-29-74-246(140)185(299)121(30-19-20-65-193)224-182(296)152(192(14,15)16)241-179(293)141-39-27-71-243(141)184(298)114(194)79-103-40-50-109(249)51-41-103/h40-59,90,93-102,114-141,150-152,247-253H,18-39,60-89,91-92,193-194H2,1-17H3,(H2,195,254)(H2,196,255)(H2,197,267)(H,206,212)(H,211,289)(H,213,271)(H,214,288)(H,215,290)(H,216,277)(H,217,256)(H,218,268)(H,219,269)(H,220,278)(H,221,284)(H,222,291)(H,223,295)(H,224,296)(H,225,272)(H,226,270)(H,227,283)(H,228,279)(H,229,273)(H,230,280)(H,231,282)(H,232,274)(H,233,275)(H,234,276)(H,235,292)(H,236,294)(H,237,285)(H,238,281)(H,239,287)(H,240,286)(H,241,293)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,198,199,207)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)/t97-,98-,99-,100-,101-,102+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-,152?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005107
PNG
(CHEMBL3086661)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C192H291N55O56S/c1-18-95(7)149(180(296)237-130(84-141(196)256)170(286)229-125(77-94(5)6)173(289)241-150(96(8)19-2)181(297)242-151(101(13)249)182(298)225-117(34-25-70-211-191(205)206)158(274)223-119(59-62-140(195)255)163(279)221-115(32-23-68-209-189(201)202)159(275)227-123(153(198)269)79-103-41-51-109(251)52-42-103)240-174(290)128(82-106-47-57-112(254)58-48-106)232-169(285)129(83-107-89-207-92-213-107)233-161(277)116(33-24-69-210-190(203)204)222-166(282)124(76-93(3)4)228-156(272)98(10)215-175(291)135(91-248)239-168(284)127(81-105-45-55-111(253)56-46-105)231-167(283)126(80-104-43-53-110(252)54-44-104)230-160(276)114(31-22-67-208-188(199)200)219-154(270)97(9)214-157(273)121(65-75-304-17)224-171(287)132(87-147(265)266)235-164(280)120(61-64-145(261)262)220-155(271)99(11)216-177(293)137-36-27-71-244(137)184(300)100(12)217-165(281)131(86-146(263)264)234-162(278)118(60-63-144(259)260)218-143(258)90-212-176(292)136-35-26-73-246(136)187(303)134(85-142(197)257)238-172(288)133(88-148(267)268)236-178(294)138-37-29-74-247(138)186(302)122(30-20-21-66-193)226-183(299)152(192(14,15)16)243-179(295)139-38-28-72-245(139)185(301)113(194)78-102-39-49-108(250)50-40-102/h39-58,89,92-101,113-139,149-152,248-254H,18-38,59-88,90-91,193-194H2,1-17H3,(H2,195,255)(H2,196,256)(H2,197,257)(H2,198,269)(H,207,213)(H,212,292)(H,214,273)(H,215,291)(H,216,293)(H,217,281)(H,218,258)(H,219,270)(H,220,271)(H,221,279)(H,222,282)(H,223,274)(H,224,287)(H,225,298)(H,226,299)(H,227,275)(H,228,272)(H,229,286)(H,230,276)(H,231,283)(H,232,285)(H,233,277)(H,234,278)(H,235,280)(H,236,294)(H,237,296)(H,238,288)(H,239,284)(H,240,290)(H,241,289)(H,242,297)(H,243,295)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t95-,96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-,152?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50253641
PNG
((R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C11H21BN2O4/c1-7(2)10(13-8(3)15)11(16)14-6-4-5-9(14)12(17)18/h7,9-10,17-18H,4-6H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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PC sid
UniChem

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Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 expressed in HEK293T cells


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005112
PNG
(CHEMBL3086658)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
Show InChI InChI=1S/C143H246N50O41S4/c1-16-75(10)110(136(232)188-97(67-199)130(226)187-96(66-198)129(225)186-95(65-197)128(224)185-94(64-196)117(213)166-58-103(202)169-89(51-71(2)3)114(210)163-60-105(204)171-98(68-235)131(227)177-81(32-21-23-43-145)123(219)189-109(74(8)9)135(231)184-90(52-72(4)5)126(222)175-82(34-25-45-159-140(151)152)120(216)174-83(35-26-46-160-141(153)154)121(217)181-88(112(148)208)54-77-56-157-70-167-77)191-124(220)84(36-27-47-161-142(155)156)176-127(223)92(55-107(206)207)183-122(218)86(40-49-237-14)178-119(215)80(31-20-22-42-144)173-118(214)79(33-24-44-158-139(149)150)168-102(201)57-164-115(211)91(53-76-29-18-17-19-30-76)182-132(228)99(69-236)172-106(205)61-165-116(212)93(63-195)170-104(203)59-162-113(209)85(38-39-101(147)200)179-134(230)108(73(6)7)190-125(221)87(41-50-238-15)180-137(233)111(143(11,12)13)192-133(229)100-37-28-48-193(100)138(234)78(146)62-194/h17-19,29-30,56,70-75,78-100,108-111,194-199,235-236H,16,20-28,31-55,57-69,144-146H2,1-15H3,(H2,147,200)(H2,148,208)(H,157,167)(H,162,209)(H,163,210)(H,164,211)(H,165,212)(H,166,213)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,214)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,215)(H,179,230)(H,180,233)(H,181,217)(H,182,228)(H,183,218)(H,184,231)(H,185,224)(H,186,225)(H,187,226)(H,188,232)(H,189,219)(H,190,221)(H,191,220)(H,192,229)(H,206,207)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t75-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-,109-,110-,111?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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KEGG
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Article
PubMed
6.10E+4n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50005110
PNG
(CHEMBL3086657)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C25H43N9O7/c1-13(2)19(26)24(41)34-11-5-8-17(34)22(39)32-15(12-18(35)36)23(40)33-10-4-7-16(33)21(38)31-14(20(27)37)6-3-9-30-25(28)29/h13-17,19H,3-12,26H2,1-2H3,(H2,27,37)(H,31,38)(H,32,39)(H,35,36)(H4,28,29,30)/t14-,15-,16-,17-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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Article
PubMed
1.42E+5n/an/an/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 ...


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50152769
PNG
(CHEMBL410972 | GLP-1(7-36)-NH2 | GLP-17-(7-36) der...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:156.159,142.150,134.137,164.169,119.121,167.172,105.111,95.99,77.87,60.66,47.53,37.38,19.25,4.4,181.184,203.208,wD:151.154,123.133,113.117,101.103,89.93,69.74,42.43,28.34,8.16,2.2,176.180,195.200,210.215,223.228,(82.22,1.34,;82.22,-.2,;83.55,-.98,;84.89,-.21,;83.55,-2.52,;82.22,-3.29,;80.88,-2.53,;80.88,-.98,;79.55,-3.29,;79.55,-4.83,;80.88,-5.61,;82.22,-4.83,;83.55,-5.6,;83.56,-7.14,;82.23,-7.91,;80.89,-7.15,;78.21,-2.53,;76.87,-3.3,;76.87,-4.84,;75.55,-2.53,;75.55,-.99,;76.87,-.21,;76.87,1.33,;75.55,2.1,;78.21,2.09,;74.21,-3.3,;72.88,-2.53,;72.88,-.99,;71.54,-3.3,;71.54,-4.84,;72.88,-5.62,;72.88,-7.16,;74.21,-7.92,;74.21,-9.46,;70.2,-2.54,;68.87,-3.31,;68.87,-4.84,;67.53,-2.54,;67.53,-1,;66.21,-3.31,;64.87,-2.54,;64.87,-1,;63.53,-3.31,;63.53,-4.85,;62.2,-2.55,;60.86,-3.32,;60.86,-4.85,;59.53,-2.55,;59.53,-1.01,;60.86,-.23,;60.86,1.31,;59.52,2.08,;62.19,2.08,;58.19,-3.32,;56.86,-2.55,;56.86,-1.01,;55.53,-3.32,;54.19,-2.56,;52.86,-3.32,;52.86,-4.86,;51.52,-2.56,;51.52,-1.01,;52.86,-.24,;52.86,1.3,;51.51,2.07,;54.18,2.07,;50.19,-3.33,;48.85,-2.56,;48.85,-1.02,;47.51,-3.33,;47.51,-4.87,;48.85,-5.64,;48.85,-7.18,;50.19,-4.87,;46.18,-2.56,;44.85,-3.33,;44.85,-4.87,;43.52,-2.57,;43.52,-1.02,;44.85,-.25,;46.18,-1.02,;47.51,-.24,;47.5,1.3,;48.84,2.06,;46.17,2.06,;44.84,1.29,;42.18,-3.34,;40.84,-2.57,;40.84,-1.03,;39.51,-3.34,;39.51,-4.88,;40.84,-5.65,;38.17,-2.57,;36.84,-3.34,;36.84,-4.88,;35.5,-2.58,;35.5,-1.03,;36.84,-.26,;34.17,-3.35,;32.84,-2.58,;32.84,-1.04,;31.49,-3.35,;30.17,-2.58,;28.82,-3.35,;28.82,-4.89,;27.5,-2.59,;27.5,-1.04,;28.82,-.27,;30.16,-1.04,;28.82,1.28,;26.15,-3.36,;24.83,-2.6,;24.83,-1.05,;23.49,-3.37,;23.49,-4.9,;24.83,-5.68,;22.16,-2.6,;20.82,-3.37,;20.82,-4.91,;19.49,-2.6,;18.14,-3.37,;16.82,-2.61,;16.82,-1.06,;15.47,-3.37,;15.47,-4.91,;16.82,-5.69,;18.15,-4.91,;19.49,-5.68,;19.49,-7.22,;18.15,-7.99,;16.82,-7.23,;14.15,-2.61,;12.81,-3.38,;12.81,-4.92,;11.48,-2.61,;10.14,-3.38,;8.81,-2.62,;8.81,-1.07,;7.47,-3.38,;6.14,-2.62,;4.79,-3.39,;4.79,-4.92,;3.47,-2.62,;3.47,-1.08,;4.79,-.3,;4.79,1.24,;3.47,2.01,;6.13,2.01,;2.13,-3.39,;.8,-2.62,;.8,-1.08,;-.54,-3.39,;-.54,-4.93,;-1.87,-2.63,;-3.21,-3.39,;-3.21,-4.93,;-4.55,-2.63,;-5.87,-3.39,;-4.55,-1.09,;-3.21,-.31,;-1.8,-.94,;-.77,.21,;-1.55,1.55,;-3.05,1.22,;11.48,-1.07,;10.14,-.29,;12.81,-.3,;19.49,-1.05,;18.14,-.28,;20.82,-.28,;31.49,-4.89,;32.84,-5.66,;30.17,-5.66,;84.89,-3.29,;84.89,-4.83,;86.23,-2.52,;87.55,-3.28,;87.55,-4.82,;88.89,-2.52,;88.89,-.96,;90.22,-3.28,;91.56,-2.51,;91.56,-.96,;92.89,-.19,;94.3,-.81,;95.34,.33,;94.56,1.66,;95.03,3.13,;94,4.28,;92.5,3.96,;92.02,2.49,;93.05,1.35,;92.89,-3.28,;92.89,-4.81,;94.23,-2.51,;95.57,-3.27,;95.57,-4.81,;96.9,-5.58,;96.9,-7.12,;98.24,-4.81,;96.9,-2.5,;96.9,-.96,;98.23,-3.26,;99.57,-2.5,;99.57,-.95,;100.9,-.18,;98.23,-.18,;100.9,-3.26,;100.9,-4.8,;102.24,-2.49,;103.57,-3.26,;103.57,-4.8,;104.91,-5.57,;104.91,-7.11,;106.25,-7.88,;106.25,-9.42,;104.91,-2.49,;104.91,-.95,;106.24,-3.26,;107.58,-2.49,;108.91,-3.25,;108.91,-4.79,;110.25,-2.48,;111.58,-3.25,;111.58,-4.79,;112.92,-5.56,;112.92,-7.1,;114.26,-7.87,;114.26,-9.41,;112.92,-10.18,;115.6,-10.18,;112.92,-2.48,;114.25,-3.25,;112.92,-.94,)|
Show InChI InChI=1S/C149H226N40O45/c1-17-76(10)119(146(232)167-80(14)126(212)175-104(60-86-63-159-91-36-25-24-35-89(86)91)136(222)177-100(56-73(4)5)137(223)186-117(74(6)7)144(230)174-93(37-26-28-52-150)128(214)160-65-110(197)168-92(122(154)208)39-30-54-158-149(155)156)188-138(224)102(57-83-31-20-18-21-32-83)178-133(219)98(47-51-115(204)205)173-132(218)94(38-27-29-53-151)170-124(210)78(12)164-123(209)77(11)166-131(217)97(44-48-109(153)196)169-111(198)66-161-130(216)96(46-50-114(202)203)172-134(220)99(55-72(2)3)176-135(221)101(59-85-40-42-88(195)43-41-85)179-141(227)106(68-190)182-143(229)108(70-192)183-145(231)118(75(8)9)187-140(226)105(62-116(206)207)180-142(228)107(69-191)184-148(234)121(82(16)194)189-139(225)103(58-84-33-22-19-23-34-84)181-147(233)120(81(15)193)185-112(199)67-162-129(215)95(45-49-113(200)201)171-125(211)79(13)165-127(213)90(152)61-87-64-157-71-163-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,159,190-195H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,196)(H2,154,208)(H,157,163)(H,160,214)(H,161,216)(H,162,215)(H,164,209)(H,165,213)(H,166,217)(H,167,232)(H,168,197)(H,169,198)(H,170,210)(H,171,211)(H,172,220)(H,173,218)(H,174,230)(H,175,212)(H,176,221)(H,177,222)(H,178,219)(H,179,227)(H,180,228)(H,181,233)(H,182,229)(H,183,231)(H,184,234)(H,185,199)(H,186,223)(H,187,226)(H,188,224)(H,189,225)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Displacement of [125I]-exendin (9 to 39) from human GLP-1R expressed in African green monkey COS7 cells by liquid scintillation counting analysis


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50442918
PNG
(CHEMBL3086851)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)(C)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:119.121,146.149,113.117,89.93,77.87,69.74,42.43,28.34,19.25,8.16,177.181,196.201,224.229,2.2,wD:123.133,134.137,151.154,165.170,105.111,101.103,95.99,60.66,47.53,37.38,4.4,182.185,204.209,211.216,168.173,(60.81,-10.24,;62.14,-11.01,;62.14,-12.55,;60.81,-13.32,;63.48,-13.32,;64.82,-12.55,;64.82,-11.01,;63.49,-10.24,;66.15,-10.24,;67.48,-11.01,;67.48,-12.55,;68.82,-13.32,;68.81,-14.87,;67.48,-15.63,;66.15,-14.86,;66.15,-13.33,;66.15,-8.7,;64.82,-7.93,;63.49,-8.7,;64.82,-6.39,;66.15,-5.62,;66.15,-4.08,;67.48,-3.31,;68.82,-4.08,;67.48,-1.77,;63.49,-5.62,;62.15,-6.39,;62.15,-7.93,;60.81,-5.62,;60.81,-4.08,;62.15,-3.31,;62.15,-1.77,;63.49,-.99,;63.49,.55,;59.48,-6.39,;58.15,-5.62,;58.15,-4.08,;56.81,-6.39,;56.81,-7.93,;55.47,-5.62,;54.14,-6.39,;54.14,-7.93,;52.8,-5.62,;52.8,-4.08,;51.46,-6.39,;51.46,-7.93,;52.8,-8.7,;50.13,-8.7,;50.13,-10.24,;51.46,-11.01,;51.46,-12.55,;50.13,-13.32,;52.8,-13.32,;48.8,-7.93,;47.46,-8.7,;47.46,-10.24,;46.13,-7.93,;44.8,-8.7,;43.46,-7.93,;43.46,-6.39,;42.13,-8.7,;42.13,-10.24,;43.46,-11.01,;43.46,-12.55,;42.13,-13.32,;44.79,-13.32,;40.79,-7.93,;39.46,-8.69,;39.46,-10.24,;38.13,-7.93,;38.13,-6.38,;39.46,-5.62,;39.46,-4.07,;40.8,-6.38,;36.79,-8.69,;36.79,-10.24,;38.13,-11,;35.46,-11,;34.12,-10.24,;32.79,-11,;31.45,-10.24,;30.12,-10.99,;30.11,-12.52,;28.77,-13.29,;31.45,-13.31,;32.78,-12.54,;35.46,-12.55,;36.79,-13.31,;38.13,-12.55,;36.79,-14.86,;35.46,-15.63,;34.12,-14.86,;38.13,-15.63,;38.13,-17.17,;36.8,-17.93,;39.46,-17.93,;40.8,-17.17,;40.8,-15.62,;39.46,-19.48,;40.8,-20.25,;42.13,-19.48,;40.8,-21.79,;39.46,-22.56,;38.13,-21.79,;38.13,-20.25,;36.8,-22.56,;36.8,-24.1,;38.13,-24.87,;39.46,-24.1,;38.13,-26.41,;35.46,-21.79,;34.12,-22.56,;34.12,-24.1,;32.79,-21.79,;32.79,-20.25,;34.12,-19.48,;31.46,-22.56,;30.13,-21.79,;30.13,-20.25,;28.79,-22.56,;28.79,-24.1,;27.46,-24.87,;26.12,-24.1,;27.46,-26.41,;28.79,-27.18,;28.79,-28.72,;30.12,-29.49,;30.12,-31.03,;28.79,-31.8,;27.45,-31.03,;27.45,-29.5,;26.12,-27.18,;24.79,-26.41,;24.79,-24.87,;23.45,-27.18,;22.12,-26.41,;20.79,-27.18,;20.79,-28.72,;19.45,-26.41,;19.45,-24.87,;18.12,-24.1,;18.12,-22.56,;16.78,-24.87,;15.45,-24.1,;14.11,-24.87,;14.11,-26.41,;12.78,-24.1,;12.78,-22.56,;11.45,-24.86,;10.11,-24.1,;10.11,-22.55,;8.78,-24.86,;7.45,-24.1,;8.78,-26.41,;7.45,-27.17,;6.01,-26.66,;5.01,-27.83,;5.91,-29.08,;7.37,-28.67,;16.78,-26.41,;15.45,-27.18,;18.11,-27.18,;16.77,-27.94,;18.1,-28.72,;15.44,-28.7,;23.45,-28.72,;22.12,-29.49,;24.79,-29.49,;27.46,-21.79,;27.46,-20.25,;26.12,-22.56,;42.13,-22.56,;43.47,-21.79,;42.13,-24.1,;63.48,-14.86,;64.82,-15.63,;62.14,-15.63,;62.14,-17.17,;63.48,-17.94,;60.81,-17.94,;60.81,-19.48,;59.48,-17.17,;58.15,-17.94,;56.81,-17.17,;55.44,-17.88,;55.23,-19.31,;53.72,-19.63,;52.95,-18.3,;51.44,-17.98,;50.97,-16.51,;52,-15.37,;53.51,-15.69,;53.99,-17.16,;58.15,-19.48,;59.48,-20.25,;56.81,-20.25,;56.81,-21.79,;58.15,-22.56,;58.15,-24.1,;59.48,-24.87,;56.81,-24.87,;55.48,-22.56,;54.15,-21.79,;55.48,-24.1,;54.14,-24.87,;52.81,-24.1,;51.47,-24.87,;52.81,-22.56,;54.14,-26.41,;55.48,-27.18,;52.81,-27.18,;52.81,-28.72,;51.47,-29.49,;50.14,-28.72,;48.81,-29.49,;47.48,-28.72,;46.14,-29.49,;54.14,-29.49,;54.14,-31.03,;55.48,-28.72,;56.81,-29.49,;58.15,-28.72,;58.15,-27.18,;59.49,-29.49,;60.82,-28.72,;60.82,-27.18,;62.15,-26.41,;62.15,-24.87,;63.49,-24.1,;63.49,-22.56,;62.15,-21.79,;64.82,-21.79,;62.15,-29.49,;63.48,-28.72,;62.15,-31.03,)|
Show InChI InChI=1S/C150H228N40O45/c1-19-76(10)117(144(230)168-79(13)124(210)175-103(60-86-63-160-91-38-27-26-37-89(86)91)134(220)177-99(56-73(4)5)135(221)186-115(74(6)7)142(228)174-93(39-28-30-52-151)127(213)161-65-109(198)169-92(121(155)207)41-32-54-159-149(156)157)188-136(222)101(57-83-33-22-20-23-34-83)178-131(217)97(48-51-113(203)204)173-130(216)94(40-29-31-53-152)171-123(209)78(12)165-122(208)77(11)167-129(215)96(46-49-108(154)197)170-110(199)66-162-128(214)95(47-50-112(201)202)172-132(218)98(55-72(2)3)176-133(219)100(59-85-42-44-88(196)45-43-85)179-139(225)105(68-191)182-141(227)107(70-193)183-143(229)116(75(8)9)187-138(224)104(62-114(205)206)180-140(226)106(69-192)184-146(232)119(82(16)195)189-137(223)102(58-84-35-24-21-25-36-84)181-145(231)118(81(15)194)185-111(200)67-163-147(233)120(150(17,18)148(234)235)190-125(211)80(14)166-126(212)90(153)61-87-64-158-71-164-87/h20-27,33-38,42-45,63-64,71-82,90,92-107,115-120,160,191-196H,19,28-32,39-41,46-62,65-70,151-153H2,1-18H3,(H2,154,197)(H2,155,207)(H,158,164)(H,161,213)(H,162,214)(H,163,233)(H,165,208)(H,166,212)(H,167,215)(H,168,230)(H,169,198)(H,170,199)(H,171,209)(H,172,218)(H,173,216)(H,174,228)(H,175,210)(H,176,219)(H,177,220)(H,178,217)(H,179,225)(H,180,226)(H,181,231)(H,182,227)(H,183,229)(H,184,232)(H,185,200)(H,186,221)(H,187,224)(H,188,222)(H,189,223)(H,190,211)(H,201,202)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,159)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-,118-,119-,120?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Displacement of [125I]-exendin (9 to 39) from human GLP-1R expressed in African green monkey COS7 cells by liquid scintillation counting analysis


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50442919
PNG
(CHEMBL3086852)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:69.74,77.87,89.93,113.117,119.121,146.149,42.43,28.34,19.25,8.16,175.179,194.199,222.227,2.2,wD:60.66,95.99,101.103,105.111,123.133,134.137,151.154,163.168,166.171,47.53,37.38,4.4,180.183,202.207,209.214,(52.99,-19.89,;54.32,-20.66,;54.32,-22.2,;52.99,-22.97,;55.66,-22.97,;57,-22.2,;57,-20.66,;55.66,-19.89,;58.33,-19.89,;59.66,-20.66,;59.66,-22.2,;60.99,-22.97,;60.99,-24.52,;59.66,-25.28,;58.33,-24.51,;58.33,-22.98,;58.33,-18.35,;57,-17.58,;55.66,-18.35,;57,-16.04,;58.33,-15.28,;58.33,-13.73,;59.66,-12.97,;61,-13.73,;59.66,-11.42,;55.66,-15.28,;54.33,-16.04,;54.33,-17.58,;52.99,-15.28,;52.99,-13.73,;54.33,-12.97,;54.33,-11.42,;55.65,-10.66,;55.65,-9.11,;51.66,-16.04,;50.33,-15.28,;50.33,-13.73,;48.99,-16.04,;48.99,-17.58,;47.65,-15.27,;46.32,-16.04,;46.32,-17.58,;44.99,-15.28,;44.99,-13.73,;43.65,-16.04,;43.65,-17.58,;44.99,-18.35,;42.32,-18.35,;42.32,-19.89,;43.65,-20.66,;43.65,-22.2,;42.32,-22.97,;44.99,-22.97,;40.98,-17.58,;39.65,-18.35,;39.65,-19.89,;38.32,-17.58,;36.98,-18.35,;35.64,-17.58,;35.64,-16.04,;34.31,-18.35,;34.31,-19.89,;35.64,-20.66,;35.64,-22.2,;34.31,-22.97,;36.98,-22.97,;32.98,-17.58,;31.64,-18.35,;31.64,-19.89,;30.31,-17.58,;30.31,-16.04,;31.64,-15.27,;31.64,-13.73,;32.98,-16.04,;28.98,-18.35,;28.98,-19.89,;30.31,-20.65,;27.65,-20.65,;26.31,-19.89,;24.98,-20.65,;23.64,-19.89,;22.31,-20.64,;22.3,-22.17,;20.96,-22.94,;23.64,-22.96,;24.97,-22.19,;27.65,-22.2,;28.98,-22.96,;30.31,-22.2,;28.98,-24.51,;27.65,-25.27,;26.31,-24.51,;30.31,-25.27,;30.31,-26.81,;28.98,-27.58,;31.65,-27.58,;32.98,-26.81,;32.98,-25.27,;31.65,-29.12,;32.98,-29.89,;34.32,-29.12,;32.98,-31.43,;31.65,-32.2,;30.31,-31.43,;30.31,-29.89,;28.98,-32.2,;28.98,-33.74,;30.31,-34.51,;31.65,-33.74,;30.31,-36.05,;27.65,-31.43,;26.31,-32.2,;26.31,-33.74,;24.98,-31.43,;24.98,-29.89,;26.31,-29.12,;23.65,-32.2,;22.32,-31.43,;22.32,-29.89,;20.98,-32.2,;20.98,-33.74,;19.65,-34.51,;18.32,-33.74,;19.65,-36.05,;20.98,-36.82,;20.98,-38.36,;22.31,-39.13,;22.31,-40.67,;20.98,-41.44,;19.65,-40.67,;19.65,-39.14,;18.32,-36.82,;16.98,-36.05,;16.98,-34.51,;15.64,-36.82,;14.31,-36.05,;12.98,-36.82,;12.98,-38.36,;11.65,-36.05,;11.65,-34.51,;10.32,-33.74,;10.32,-32.2,;8.98,-34.51,;7.65,-33.74,;6.31,-34.51,;6.31,-36.05,;4.98,-33.74,;4.98,-32.2,;3.64,-34.51,;2.31,-33.74,;2.31,-32.2,;.98,-34.51,;-.36,-33.74,;.98,-36.05,;-.36,-36.82,;-1.83,-36.35,;-2.79,-37.56,;-1.84,-38.77,;-.4,-38.32,;8.98,-36.05,;7.65,-36.82,;10.31,-36.82,;8.97,-37.58,;15.64,-38.36,;14.31,-39.13,;16.98,-39.13,;19.65,-31.43,;19.65,-29.89,;18.32,-32.2,;34.32,-32.2,;35.65,-31.43,;34.32,-33.74,;55.66,-24.51,;56.99,-25.28,;54.32,-25.28,;54.32,-26.82,;55.66,-27.59,;52.99,-27.59,;52.99,-29.13,;51.66,-26.82,;50.33,-27.59,;48.99,-26.82,;47.62,-27.53,;47.41,-28.96,;45.9,-29.28,;45.13,-27.94,;43.63,-27.63,;43.16,-26.16,;44.19,-25.02,;45.69,-25.34,;46.17,-26.81,;50.33,-29.13,;51.66,-29.9,;48.99,-29.9,;48.99,-31.44,;50.33,-32.2,;50.33,-33.75,;51.66,-34.51,;48.99,-34.51,;47.66,-32.2,;46.33,-31.44,;47.66,-33.74,;46.33,-34.51,;45,-33.75,;43.66,-34.51,;45,-32.2,;46.33,-36.06,;47.66,-36.82,;45,-36.82,;45,-38.37,;43.66,-39.13,;42.32,-38.37,;40.99,-39.13,;39.66,-38.37,;38.33,-39.13,;46.33,-39.13,;46.33,-40.67,;47.66,-38.36,;49,-39.13,;50.33,-38.36,;50.33,-36.82,;51.67,-39.13,;53,-38.37,;53,-36.82,;54.33,-36.06,;54.33,-34.51,;55.67,-33.75,;55.67,-32.21,;54.33,-31.44,;57,-31.44,;54.33,-39.13,;55.66,-38.36,;54.33,-40.67,)|
Show InChI InChI=1S/C150H230N40O43/c1-20-77(10)118(145(230)168-80(13)125(210)175-104(61-87-64-160-92-39-28-27-38-90(87)92)135(220)177-100(57-74(4)5)136(221)186-116(75(6)7)143(228)174-94(40-29-31-53-151)128(213)161-66-110(198)169-93(122(155)207)42-33-55-159-149(156)157)188-137(222)102(58-84-34-23-21-24-35-84)178-132(217)98(49-52-114(203)204)173-131(216)95(41-30-32-54-152)171-124(209)79(12)165-123(208)78(11)167-130(215)97(47-50-109(154)197)170-111(199)67-162-129(214)96(48-51-113(201)202)172-133(218)99(56-73(2)3)176-134(219)101(60-86-43-45-89(196)46-44-86)179-140(225)106(69-191)182-142(227)108(71-193)183-144(229)117(76(8)9)187-139(224)105(63-115(205)206)180-141(226)107(70-192)184-147(232)120(83(16)195)189-138(223)103(59-85-36-25-22-26-37-85)181-146(231)119(82(15)194)185-112(200)68-163-148(233)121(150(17,18)19)190-126(211)81(14)166-127(212)91(153)62-88-65-158-72-164-88/h21-28,34-39,43-46,64-65,72-83,91,93-108,116-121,160,191-196H,20,29-33,40-42,47-63,66-71,151-153H2,1-19H3,(H2,154,197)(H2,155,207)(H,158,164)(H,161,213)(H,162,214)(H,163,233)(H,165,208)(H,166,212)(H,167,215)(H,168,230)(H,169,198)(H,170,199)(H,171,209)(H,172,218)(H,173,216)(H,174,228)(H,175,210)(H,176,219)(H,177,220)(H,178,217)(H,179,225)(H,180,226)(H,181,231)(H,182,227)(H,183,229)(H,184,232)(H,185,200)(H,186,221)(H,187,224)(H,188,222)(H,189,223)(H,190,211)(H,201,202)(H,203,204)(H,205,206)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,116-,117-,118-,119-,120-,121?/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Displacement of [125I]-exendin (9 to 39) from human GLP-1R expressed in African green monkey COS7 cells by liquid scintillation counting analysis


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in intact HEK293T cells after 2 hrs


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in intact HEK293T cells after 2 hrs


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50253639
PNG
((S)-4-amino-5-((R)-1-boronoethylamino)-5-oxopentan...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(O)=O)B(O)O |r|
Show InChI InChI=1S/C7H15BN2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5,14-15H,2-3,9H2,1H3,(H,10,13)(H,11,12)/t4-,5-/m0/s1
PDB

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n/an/a 7.00E+6n/an/an/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 expressed in intact HEK293T cells after 2 hrs


J Med Chem 51: 6005-13 (2008)


Article DOI: 10.1021/jm800390n
BindingDB Entry DOI: 10.7270/Q2GM874W
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50442918
PNG
(CHEMBL3086851)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)(C)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:119.121,146.149,113.117,89.93,77.87,69.74,42.43,28.34,19.25,8.16,177.181,196.201,224.229,2.2,wD:123.133,134.137,151.154,165.170,105.111,101.103,95.99,60.66,47.53,37.38,4.4,182.185,204.209,211.216,168.173,(60.81,-10.24,;62.14,-11.01,;62.14,-12.55,;60.81,-13.32,;63.48,-13.32,;64.82,-12.55,;64.82,-11.01,;63.49,-10.24,;66.15,-10.24,;67.48,-11.01,;67.48,-12.55,;68.82,-13.32,;68.81,-14.87,;67.48,-15.63,;66.15,-14.86,;66.15,-13.33,;66.15,-8.7,;64.82,-7.93,;63.49,-8.7,;64.82,-6.39,;66.15,-5.62,;66.15,-4.08,;67.48,-3.31,;68.82,-4.08,;67.48,-1.77,;63.49,-5.62,;62.15,-6.39,;62.15,-7.93,;60.81,-5.62,;60.81,-4.08,;62.15,-3.31,;62.15,-1.77,;63.49,-.99,;63.49,.55,;59.48,-6.39,;58.15,-5.62,;58.15,-4.08,;56.81,-6.39,;56.81,-7.93,;55.47,-5.62,;54.14,-6.39,;54.14,-7.93,;52.8,-5.62,;52.8,-4.08,;51.46,-6.39,;51.46,-7.93,;52.8,-8.7,;50.13,-8.7,;50.13,-10.24,;51.46,-11.01,;51.46,-12.55,;50.13,-13.32,;52.8,-13.32,;48.8,-7.93,;47.46,-8.7,;47.46,-10.24,;46.13,-7.93,;44.8,-8.7,;43.46,-7.93,;43.46,-6.39,;42.13,-8.7,;42.13,-10.24,;43.46,-11.01,;43.46,-12.55,;42.13,-13.32,;44.79,-13.32,;40.79,-7.93,;39.46,-8.69,;39.46,-10.24,;38.13,-7.93,;38.13,-6.38,;39.46,-5.62,;39.46,-4.07,;40.8,-6.38,;36.79,-8.69,;36.79,-10.24,;38.13,-11,;35.46,-11,;34.12,-10.24,;32.79,-11,;31.45,-10.24,;30.12,-10.99,;30.11,-12.52,;28.77,-13.29,;31.45,-13.31,;32.78,-12.54,;35.46,-12.55,;36.79,-13.31,;38.13,-12.55,;36.79,-14.86,;35.46,-15.63,;34.12,-14.86,;38.13,-15.63,;38.13,-17.17,;36.8,-17.93,;39.46,-17.93,;40.8,-17.17,;40.8,-15.62,;39.46,-19.48,;40.8,-20.25,;42.13,-19.48,;40.8,-21.79,;39.46,-22.56,;38.13,-21.79,;38.13,-20.25,;36.8,-22.56,;36.8,-24.1,;38.13,-24.87,;39.46,-24.1,;38.13,-26.41,;35.46,-21.79,;34.12,-22.56,;34.12,-24.1,;32.79,-21.79,;32.79,-20.25,;34.12,-19.48,;31.46,-22.56,;30.13,-21.79,;30.13,-20.25,;28.79,-22.56,;28.79,-24.1,;27.46,-24.87,;26.12,-24.1,;27.46,-26.41,;28.79,-27.18,;28.79,-28.72,;30.12,-29.49,;30.12,-31.03,;28.79,-31.8,;27.45,-31.03,;27.45,-29.5,;26.12,-27.18,;24.79,-26.41,;24.79,-24.87,;23.45,-27.18,;22.12,-26.41,;20.79,-27.18,;20.79,-28.72,;19.45,-26.41,;19.45,-24.87,;18.12,-24.1,;18.12,-22.56,;16.78,-24.87,;15.45,-24.1,;14.11,-24.87,;14.11,-26.41,;12.78,-24.1,;12.78,-22.56,;11.45,-24.86,;10.11,-24.1,;10.11,-22.55,;8.78,-24.86,;7.45,-24.1,;8.78,-26.41,;7.45,-27.17,;6.01,-26.66,;5.01,-27.83,;5.91,-29.08,;7.37,-28.67,;16.78,-26.41,;15.45,-27.18,;18.11,-27.18,;16.77,-27.94,;18.1,-28.72,;15.44,-28.7,;23.45,-28.72,;22.12,-29.49,;24.79,-29.49,;27.46,-21.79,;27.46,-20.25,;26.12,-22.56,;42.13,-22.56,;43.47,-21.79,;42.13,-24.1,;63.48,-14.86,;64.82,-15.63,;62.14,-15.63,;62.14,-17.17,;63.48,-17.94,;60.81,-17.94,;60.81,-19.48,;59.48,-17.17,;58.15,-17.94,;56.81,-17.17,;55.44,-17.88,;55.23,-19.31,;53.72,-19.63,;52.95,-18.3,;51.44,-17.98,;50.97,-16.51,;52,-15.37,;53.51,-15.69,;53.99,-17.16,;58.15,-19.48,;59.48,-20.25,;56.81,-20.25,;56.81,-21.79,;58.15,-22.56,;58.15,-24.1,;59.48,-24.87,;56.81,-24.87,;55.48,-22.56,;54.15,-21.79,;55.48,-24.1,;54.14,-24.87,;52.81,-24.1,;51.47,-24.87,;52.81,-22.56,;54.14,-26.41,;55.48,-27.18,;52.81,-27.18,;52.81,-28.72,;51.47,-29.49,;50.14,-28.72,;48.81,-29.49,;47.48,-28.72,;46.14,-29.49,;54.14,-29.49,;54.14,-31.03,;55.48,-28.72,;56.81,-29.49,;58.15,-28.72,;58.15,-27.18,;59.49,-29.49,;60.82,-28.72,;60.82,-27.18,;62.15,-26.41,;62.15,-24.87,;63.49,-24.1,;63.49,-22.56,;62.15,-21.79,;64.82,-21.79,;62.15,-29.49,;63.48,-28.72,;62.15,-31.03,)|
Show InChI InChI=1S/C150H228N40O45/c1-19-76(10)117(144(230)168-79(13)124(210)175-103(60-86-63-160-91-38-27-26-37-89(86)91)134(220)177-99(56-73(4)5)135(221)186-115(74(6)7)142(228)174-93(39-28-30-52-151)127(213)161-65-109(198)169-92(121(155)207)41-32-54-159-149(156)157)188-136(222)101(57-83-33-22-20-23-34-83)178-131(217)97(48-51-113(203)204)173-130(216)94(40-29-31-53-152)171-123(209)78(12)165-122(208)77(11)167-129(215)96(46-49-108(154)197)170-110(199)66-162-128(214)95(47-50-112(201)202)172-132(218)98(55-72(2)3)176-133(219)100(59-85-42-44-88(196)45-43-85)179-139(225)105(68-191)182-141(227)107(70-193)183-143(229)116(75(8)9)187-138(224)104(62-114(205)206)180-140(226)106(69-192)184-146(232)119(82(16)195)189-137(223)102(58-84-35-24-21-25-36-84)181-145(231)118(81(15)194)185-111(200)67-163-147(233)120(150(17,18)148(234)235)190-125(211)80(14)166-126(212)90(153)61-87-64-158-71-164-87/h20-27,33-38,42-45,63-64,71-82,90,92-107,115-120,160,191-196H,19,28-32,39-41,46-62,65-70,151-153H2,1-18H3,(H2,154,197)(H2,155,207)(H,158,164)(H,161,213)(H,162,214)(H,163,233)(H,165,208)(H,166,212)(H,167,215)(H,168,230)(H,169,198)(H,170,199)(H,171,209)(H,172,218)(H,173,216)(H,174,228)(H,175,210)(H,176,219)(H,177,220)(H,178,217)(H,179,225)(H,180,226)(H,181,231)(H,182,227)(H,183,229)(H,184,232)(H,185,200)(H,186,221)(H,187,224)(H,188,222)(H,189,223)(H,190,211)(H,201,202)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,159)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-,118-,119-,120?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.170n/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1R expressed in African green monkey COS7 cells assessed as stimulation of cAMP production


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50152769
PNG
(CHEMBL410972 | GLP-1(7-36)-NH2 | GLP-17-(7-36) der...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:156.159,142.150,134.137,164.169,119.121,167.172,105.111,95.99,77.87,60.66,47.53,37.38,19.25,4.4,181.184,203.208,wD:151.154,123.133,113.117,101.103,89.93,69.74,42.43,28.34,8.16,2.2,176.180,195.200,210.215,223.228,(82.22,1.34,;82.22,-.2,;83.55,-.98,;84.89,-.21,;83.55,-2.52,;82.22,-3.29,;80.88,-2.53,;80.88,-.98,;79.55,-3.29,;79.55,-4.83,;80.88,-5.61,;82.22,-4.83,;83.55,-5.6,;83.56,-7.14,;82.23,-7.91,;80.89,-7.15,;78.21,-2.53,;76.87,-3.3,;76.87,-4.84,;75.55,-2.53,;75.55,-.99,;76.87,-.21,;76.87,1.33,;75.55,2.1,;78.21,2.09,;74.21,-3.3,;72.88,-2.53,;72.88,-.99,;71.54,-3.3,;71.54,-4.84,;72.88,-5.62,;72.88,-7.16,;74.21,-7.92,;74.21,-9.46,;70.2,-2.54,;68.87,-3.31,;68.87,-4.84,;67.53,-2.54,;67.53,-1,;66.21,-3.31,;64.87,-2.54,;64.87,-1,;63.53,-3.31,;63.53,-4.85,;62.2,-2.55,;60.86,-3.32,;60.86,-4.85,;59.53,-2.55,;59.53,-1.01,;60.86,-.23,;60.86,1.31,;59.52,2.08,;62.19,2.08,;58.19,-3.32,;56.86,-2.55,;56.86,-1.01,;55.53,-3.32,;54.19,-2.56,;52.86,-3.32,;52.86,-4.86,;51.52,-2.56,;51.52,-1.01,;52.86,-.24,;52.86,1.3,;51.51,2.07,;54.18,2.07,;50.19,-3.33,;48.85,-2.56,;48.85,-1.02,;47.51,-3.33,;47.51,-4.87,;48.85,-5.64,;48.85,-7.18,;50.19,-4.87,;46.18,-2.56,;44.85,-3.33,;44.85,-4.87,;43.52,-2.57,;43.52,-1.02,;44.85,-.25,;46.18,-1.02,;47.51,-.24,;47.5,1.3,;48.84,2.06,;46.17,2.06,;44.84,1.29,;42.18,-3.34,;40.84,-2.57,;40.84,-1.03,;39.51,-3.34,;39.51,-4.88,;40.84,-5.65,;38.17,-2.57,;36.84,-3.34,;36.84,-4.88,;35.5,-2.58,;35.5,-1.03,;36.84,-.26,;34.17,-3.35,;32.84,-2.58,;32.84,-1.04,;31.49,-3.35,;30.17,-2.58,;28.82,-3.35,;28.82,-4.89,;27.5,-2.59,;27.5,-1.04,;28.82,-.27,;30.16,-1.04,;28.82,1.28,;26.15,-3.36,;24.83,-2.6,;24.83,-1.05,;23.49,-3.37,;23.49,-4.9,;24.83,-5.68,;22.16,-2.6,;20.82,-3.37,;20.82,-4.91,;19.49,-2.6,;18.14,-3.37,;16.82,-2.61,;16.82,-1.06,;15.47,-3.37,;15.47,-4.91,;16.82,-5.69,;18.15,-4.91,;19.49,-5.68,;19.49,-7.22,;18.15,-7.99,;16.82,-7.23,;14.15,-2.61,;12.81,-3.38,;12.81,-4.92,;11.48,-2.61,;10.14,-3.38,;8.81,-2.62,;8.81,-1.07,;7.47,-3.38,;6.14,-2.62,;4.79,-3.39,;4.79,-4.92,;3.47,-2.62,;3.47,-1.08,;4.79,-.3,;4.79,1.24,;3.47,2.01,;6.13,2.01,;2.13,-3.39,;.8,-2.62,;.8,-1.08,;-.54,-3.39,;-.54,-4.93,;-1.87,-2.63,;-3.21,-3.39,;-3.21,-4.93,;-4.55,-2.63,;-5.87,-3.39,;-4.55,-1.09,;-3.21,-.31,;-1.8,-.94,;-.77,.21,;-1.55,1.55,;-3.05,1.22,;11.48,-1.07,;10.14,-.29,;12.81,-.3,;19.49,-1.05,;18.14,-.28,;20.82,-.28,;31.49,-4.89,;32.84,-5.66,;30.17,-5.66,;84.89,-3.29,;84.89,-4.83,;86.23,-2.52,;87.55,-3.28,;87.55,-4.82,;88.89,-2.52,;88.89,-.96,;90.22,-3.28,;91.56,-2.51,;91.56,-.96,;92.89,-.19,;94.3,-.81,;95.34,.33,;94.56,1.66,;95.03,3.13,;94,4.28,;92.5,3.96,;92.02,2.49,;93.05,1.35,;92.89,-3.28,;92.89,-4.81,;94.23,-2.51,;95.57,-3.27,;95.57,-4.81,;96.9,-5.58,;96.9,-7.12,;98.24,-4.81,;96.9,-2.5,;96.9,-.96,;98.23,-3.26,;99.57,-2.5,;99.57,-.95,;100.9,-.18,;98.23,-.18,;100.9,-3.26,;100.9,-4.8,;102.24,-2.49,;103.57,-3.26,;103.57,-4.8,;104.91,-5.57,;104.91,-7.11,;106.25,-7.88,;106.25,-9.42,;104.91,-2.49,;104.91,-.95,;106.24,-3.26,;107.58,-2.49,;108.91,-3.25,;108.91,-4.79,;110.25,-2.48,;111.58,-3.25,;111.58,-4.79,;112.92,-5.56,;112.92,-7.1,;114.26,-7.87,;114.26,-9.41,;112.92,-10.18,;115.6,-10.18,;112.92,-2.48,;114.25,-3.25,;112.92,-.94,)|
Show InChI InChI=1S/C149H226N40O45/c1-17-76(10)119(146(232)167-80(14)126(212)175-104(60-86-63-159-91-36-25-24-35-89(86)91)136(222)177-100(56-73(4)5)137(223)186-117(74(6)7)144(230)174-93(37-26-28-52-150)128(214)160-65-110(197)168-92(122(154)208)39-30-54-158-149(155)156)188-138(224)102(57-83-31-20-18-21-32-83)178-133(219)98(47-51-115(204)205)173-132(218)94(38-27-29-53-151)170-124(210)78(12)164-123(209)77(11)166-131(217)97(44-48-109(153)196)169-111(198)66-161-130(216)96(46-50-114(202)203)172-134(220)99(55-72(2)3)176-135(221)101(59-85-40-42-88(195)43-41-85)179-141(227)106(68-190)182-143(229)108(70-192)183-145(231)118(75(8)9)187-140(226)105(62-116(206)207)180-142(228)107(69-191)184-148(234)121(82(16)194)189-139(225)103(58-84-33-22-19-23-34-84)181-147(233)120(81(15)193)185-112(199)67-162-129(215)95(45-49-113(200)201)171-125(211)79(13)165-127(213)90(152)61-87-64-157-71-163-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,159,190-195H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,196)(H2,154,208)(H,157,163)(H,160,214)(H,161,216)(H,162,215)(H,164,209)(H,165,213)(H,166,217)(H,167,232)(H,168,197)(H,169,198)(H,170,210)(H,171,211)(H,172,220)(H,173,218)(H,174,230)(H,175,212)(H,176,221)(H,177,222)(H,178,219)(H,179,227)(H,180,228)(H,181,233)(H,182,229)(H,183,231)(H,184,234)(H,185,199)(H,186,223)(H,187,226)(H,188,224)(H,189,225)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.350n/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1R expressed in African green monkey COS7 cells assessed as stimulation of cAMP production


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50442919
PNG
(CHEMBL3086852)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:69.74,77.87,89.93,113.117,119.121,146.149,42.43,28.34,19.25,8.16,175.179,194.199,222.227,2.2,wD:60.66,95.99,101.103,105.111,123.133,134.137,151.154,163.168,166.171,47.53,37.38,4.4,180.183,202.207,209.214,(52.99,-19.89,;54.32,-20.66,;54.32,-22.2,;52.99,-22.97,;55.66,-22.97,;57,-22.2,;57,-20.66,;55.66,-19.89,;58.33,-19.89,;59.66,-20.66,;59.66,-22.2,;60.99,-22.97,;60.99,-24.52,;59.66,-25.28,;58.33,-24.51,;58.33,-22.98,;58.33,-18.35,;57,-17.58,;55.66,-18.35,;57,-16.04,;58.33,-15.28,;58.33,-13.73,;59.66,-12.97,;61,-13.73,;59.66,-11.42,;55.66,-15.28,;54.33,-16.04,;54.33,-17.58,;52.99,-15.28,;52.99,-13.73,;54.33,-12.97,;54.33,-11.42,;55.65,-10.66,;55.65,-9.11,;51.66,-16.04,;50.33,-15.28,;50.33,-13.73,;48.99,-16.04,;48.99,-17.58,;47.65,-15.27,;46.32,-16.04,;46.32,-17.58,;44.99,-15.28,;44.99,-13.73,;43.65,-16.04,;43.65,-17.58,;44.99,-18.35,;42.32,-18.35,;42.32,-19.89,;43.65,-20.66,;43.65,-22.2,;42.32,-22.97,;44.99,-22.97,;40.98,-17.58,;39.65,-18.35,;39.65,-19.89,;38.32,-17.58,;36.98,-18.35,;35.64,-17.58,;35.64,-16.04,;34.31,-18.35,;34.31,-19.89,;35.64,-20.66,;35.64,-22.2,;34.31,-22.97,;36.98,-22.97,;32.98,-17.58,;31.64,-18.35,;31.64,-19.89,;30.31,-17.58,;30.31,-16.04,;31.64,-15.27,;31.64,-13.73,;32.98,-16.04,;28.98,-18.35,;28.98,-19.89,;30.31,-20.65,;27.65,-20.65,;26.31,-19.89,;24.98,-20.65,;23.64,-19.89,;22.31,-20.64,;22.3,-22.17,;20.96,-22.94,;23.64,-22.96,;24.97,-22.19,;27.65,-22.2,;28.98,-22.96,;30.31,-22.2,;28.98,-24.51,;27.65,-25.27,;26.31,-24.51,;30.31,-25.27,;30.31,-26.81,;28.98,-27.58,;31.65,-27.58,;32.98,-26.81,;32.98,-25.27,;31.65,-29.12,;32.98,-29.89,;34.32,-29.12,;32.98,-31.43,;31.65,-32.2,;30.31,-31.43,;30.31,-29.89,;28.98,-32.2,;28.98,-33.74,;30.31,-34.51,;31.65,-33.74,;30.31,-36.05,;27.65,-31.43,;26.31,-32.2,;26.31,-33.74,;24.98,-31.43,;24.98,-29.89,;26.31,-29.12,;23.65,-32.2,;22.32,-31.43,;22.32,-29.89,;20.98,-32.2,;20.98,-33.74,;19.65,-34.51,;18.32,-33.74,;19.65,-36.05,;20.98,-36.82,;20.98,-38.36,;22.31,-39.13,;22.31,-40.67,;20.98,-41.44,;19.65,-40.67,;19.65,-39.14,;18.32,-36.82,;16.98,-36.05,;16.98,-34.51,;15.64,-36.82,;14.31,-36.05,;12.98,-36.82,;12.98,-38.36,;11.65,-36.05,;11.65,-34.51,;10.32,-33.74,;10.32,-32.2,;8.98,-34.51,;7.65,-33.74,;6.31,-34.51,;6.31,-36.05,;4.98,-33.74,;4.98,-32.2,;3.64,-34.51,;2.31,-33.74,;2.31,-32.2,;.98,-34.51,;-.36,-33.74,;.98,-36.05,;-.36,-36.82,;-1.83,-36.35,;-2.79,-37.56,;-1.84,-38.77,;-.4,-38.32,;8.98,-36.05,;7.65,-36.82,;10.31,-36.82,;8.97,-37.58,;15.64,-38.36,;14.31,-39.13,;16.98,-39.13,;19.65,-31.43,;19.65,-29.89,;18.32,-32.2,;34.32,-32.2,;35.65,-31.43,;34.32,-33.74,;55.66,-24.51,;56.99,-25.28,;54.32,-25.28,;54.32,-26.82,;55.66,-27.59,;52.99,-27.59,;52.99,-29.13,;51.66,-26.82,;50.33,-27.59,;48.99,-26.82,;47.62,-27.53,;47.41,-28.96,;45.9,-29.28,;45.13,-27.94,;43.63,-27.63,;43.16,-26.16,;44.19,-25.02,;45.69,-25.34,;46.17,-26.81,;50.33,-29.13,;51.66,-29.9,;48.99,-29.9,;48.99,-31.44,;50.33,-32.2,;50.33,-33.75,;51.66,-34.51,;48.99,-34.51,;47.66,-32.2,;46.33,-31.44,;47.66,-33.74,;46.33,-34.51,;45,-33.75,;43.66,-34.51,;45,-32.2,;46.33,-36.06,;47.66,-36.82,;45,-36.82,;45,-38.37,;43.66,-39.13,;42.32,-38.37,;40.99,-39.13,;39.66,-38.37,;38.33,-39.13,;46.33,-39.13,;46.33,-40.67,;47.66,-38.36,;49,-39.13,;50.33,-38.36,;50.33,-36.82,;51.67,-39.13,;53,-38.37,;53,-36.82,;54.33,-36.06,;54.33,-34.51,;55.67,-33.75,;55.67,-32.21,;54.33,-31.44,;57,-31.44,;54.33,-39.13,;55.66,-38.36,;54.33,-40.67,)|
Show InChI InChI=1S/C150H230N40O43/c1-20-77(10)118(145(230)168-80(13)125(210)175-104(61-87-64-160-92-39-28-27-38-90(87)92)135(220)177-100(57-74(4)5)136(221)186-116(75(6)7)143(228)174-94(40-29-31-53-151)128(213)161-66-110(198)169-93(122(155)207)42-33-55-159-149(156)157)188-137(222)102(58-84-34-23-21-24-35-84)178-132(217)98(49-52-114(203)204)173-131(216)95(41-30-32-54-152)171-124(209)79(12)165-123(208)78(11)167-130(215)97(47-50-109(154)197)170-111(199)67-162-129(214)96(48-51-113(201)202)172-133(218)99(56-73(2)3)176-134(219)101(60-86-43-45-89(196)46-44-86)179-140(225)106(69-191)182-142(227)108(71-193)183-144(229)117(76(8)9)187-139(224)105(63-115(205)206)180-141(226)107(70-192)184-147(232)120(83(16)195)189-138(223)103(59-85-36-25-22-26-37-85)181-146(231)119(82(15)194)185-112(200)68-163-148(233)121(150(17,18)19)190-126(211)81(14)166-127(212)91(153)62-88-65-158-72-164-88/h21-28,34-39,43-46,64-65,72-83,91,93-108,116-121,160,191-196H,20,29-33,40-42,47-63,66-71,151-153H2,1-19H3,(H2,154,197)(H2,155,207)(H,158,164)(H,161,213)(H,162,214)(H,163,233)(H,165,208)(H,166,212)(H,167,215)(H,168,230)(H,169,198)(H,170,199)(H,171,209)(H,172,218)(H,173,216)(H,174,228)(H,175,210)(H,176,219)(H,177,220)(H,178,217)(H,179,225)(H,180,226)(H,181,231)(H,182,227)(H,183,229)(H,184,232)(H,185,200)(H,186,221)(H,187,224)(H,188,222)(H,189,223)(H,190,211)(H,201,202)(H,203,204)(H,205,206)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,116-,117-,118-,119-,120-,121?/m0/s1
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PubMed
n/an/an/an/a 0.260n/an/an/an/a



Tufts University

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1R expressed in African green monkey COS7 cells assessed as stimulation of cAMP production


J Med Chem 56: 8339-51 (2013)


Article DOI: 10.1021/jm400423p
BindingDB Entry DOI: 10.7270/Q2PK0HMZ
More data for this
Ligand-Target Pair