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PubMed code 15115400

Compile data set for download or QSAR
Found 22 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 IV


(Sus scrofa (pig))
BDBM50287059
PNG
((S)-1-(2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-c...)
Show SMILES CCC(C)C(N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10?/m0/s1
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PubMed
2n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145999
PNG
((1S,5S)-2-(2-Amino-2-cyclopentyl-acetyl)-2-aza-bic...)
Show SMILES NC(C1CCCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C13H19N3O/c14-7-10-5-9-6-11(9)16(10)13(17)12(15)8-3-1-2-4-8/h8-12H,1-6,15H2/t9-,10?,11+,12?/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146015
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclopentyl)-acetyl...)
Show SMILES CC1(CCCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C14H21N3O/c1-14(4-2-3-5-14)12(16)13(18)17-10(8-15)6-9-7-11(9)17/h9-12H,2-7,16H2,1H3/t9-,10?,11+,12?/m1/s1
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7n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146002
PNG
((S)-2-((S)-2-Amino-3-methyl-3-(S)-methyl-butyryl)-...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-12(2,3)10(14)11(16)15-8(6-13)4-7-5-9(7)15/h7-10H,4-5,14H2,1-3H3/t7-,8?,9+,10-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146009
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclohexyl)-acetyl]...)
Show SMILES CC1(CCCCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C15H23N3O/c1-15(5-3-2-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11?,12+,13?/m1/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50151003
PNG
((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146010
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclobutyl)-acetyl]...)
Show SMILES CC1(CCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C13H19N3O/c1-13(3-2-4-13)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,2-6,15H2,1H3/t8-,9?,10+,11?/m1/s1
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145997
PNG
((1S,5S)-2-(2-Amino-2-cyclobutyl-acetyl)-2-aza-bicy...)
Show SMILES NC(C1CCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H17N3O/c13-6-9-4-8-5-10(8)15(9)12(16)11(14)7-2-1-3-7/h7-11H,1-5,14H2/t8-,9?,10+,11?/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146007
PNG
((1R,5S)-3-((S)-2-Amino-3-methyl-butyryl)-3-aza-bic...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C11H17N3O/c1-6(2)10(13)11(15)14-5-7-3-8(7)9(14)4-12/h6-10H,3,5,13H2,1-2H3/t7-,8-,9?,10+/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146013
PNG
((1R,5S)-3-((S)-2-Amino-3,3-dimethyl-butyryl)-3-aza...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C12H19N3O/c1-12(2,3)10(14)11(16)15-6-7-4-8(7)9(15)5-13/h7-10H,4,6,14H2,1-3H3/t7-,8-,9?,10-/m1/s1
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14n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146005
PNG
((1S,5S)-2-(2-Amino-2-cyclohexyl-acetyl)-2-aza-bicy...)
Show SMILES NC(C1CCCCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C14H21N3O/c15-8-11-6-10-7-12(10)17(11)14(18)13(16)9-4-2-1-3-5-9/h9-13H,1-7,16H2/t10-,11?,12+,13?/m1/s1
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145996
PNG
((1R,5S)-3-((S)-2-Amino-3-methyl-pentanoyl)-3-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C12H19N3O/c1-3-7(2)11(14)12(16)15-6-8-4-9(8)10(15)5-13/h7-11H,3-4,6,14H2,1-2H3/t7?,8-,9-,10?,11+/m1/s1
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146000
PNG
((1S,5S)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-3-7(2)11(14)12(16)15-9(6-13)4-8-5-10(8)15/h7-11H,3-5,14H2,1-2H3/t7?,8-,9?,10+,11+/m1/s1
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25n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146004
PNG
((1R,5R)-2-((S)-2-Amino-3-methyl-butyryl)-2-aza-bic...)
Show SMILES CC(C)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2CC1C#N
Show InChI InChI=1S/C11H17N3O/c1-6(2)10(13)11(15)14-8(5-12)3-7-4-9(7)14/h6-10H,3-4,13H2,1-2H3/t7-,8?,9+,10-/m0/s1
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29n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146006
PNG
((1S,5S)-2-((S)-2-Amino-3-phenyl-propionyl)-2-aza-b...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C15H17N3O/c16-9-12-7-11-8-14(11)18(12)15(19)13(17)6-10-4-2-1-3-5-10/h1-5,11-14H,6-8,17H2/t11-,12?,13+,14+/m1/s1
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65n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146001
PNG
((1S,5S)-2-((S)-1-Amino-pyrrolidine-2-carbonyl)-2-a...)
Show SMILES NN1CCC[C@H]1C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C11H16N4O/c12-6-8-4-7-5-10(7)15(8)11(16)9-2-1-3-14(9)13/h7-10H,1-5,13H2/t7-,8?,9+,10+/m1/s1
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107n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146012
PNG
((1S,5S)-2-((S)-2-Amino-4-methylsulfanyl-butyryl)-2...)
Show SMILES CSCC[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C11H17N3OS/c1-16-3-2-9(13)11(15)14-8(6-12)4-7-5-10(7)14/h7-10H,2-5,13H2,1H3/t7-,8?,9+,10+/m1/s1
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135n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145998
PNG
((1S,5S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionyl...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C17H18N4O/c18-8-12-5-10-7-16(10)21(12)17(22)14(19)6-11-9-20-15-4-2-1-3-13(11)15/h1-4,9-10,12,14,16,20H,5-7,19H2/t10-,12?,14+,16+/m1/s1
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230n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145994
PNG
((1R,5R)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-3-7(2)11(14)12(16)15-9(6-13)4-8-5-10(8)15/h7-11H,3-5,14H2,1-2H3/t7?,8-,9?,10+,11-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145995
PNG
((1S,5S)-2-((S)-3-Methyl-2-methylamino-butyryl)-2-a...)
Show SMILES CN[C@@H](C(C)C)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-7(2)11(14-3)12(16)15-9(6-13)4-8-5-10(8)15/h7-11,14H,4-5H2,1-3H3/t8-,9?,10+,11+/m1/s1
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1.94E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146011
PNG
((1S,5R)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-b...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@]12C#N
Show InChI InChI=1S/C12H19N3O/c1-3-8(2)10(14)11(16)15-5-4-9-6-12(9,15)7-13/h8-10H,3-6,14H2,1-2H3/t8?,9-,10+,12-/m1/s1
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Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146008
PNG
((1S,5S)-2-(Piperidine-2-carbonyl)-2-aza-bicyclo[3....)
Show SMILES O=C(C1CCCCN1)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H17N3O/c13-7-9-5-8-6-11(8)15(9)12(16)10-3-1-2-4-14-10/h8-11,14H,1-6H2/t8-,9?,10?,11+/m1/s1
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Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%