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PubMed code 22475866

Compile data set for download or QSAR
Found 19 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))		BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a 2.34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a 2.64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a 13.8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%