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PubMed code 15713382

Compile data set for download or QSAR
Found 16 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


(Rattus norvegicus (rat))		BDBM50370477
PNG
(CHEMBL452425)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H23N5O4/c1-3-11(2)14(17)15(22)19-8-5-9-20(19)16(23)18-12-6-4-7-13(10-12)21(24)25/h4,6-7,10-11,14H,3,5,8-9,17H2,1-2H3,(H,18,23)/t11?,14-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161365
PNG
(2-[(2S)-2-amino-3-methylbutanoyl]-N-(3-nitrophenyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H21N5O4/c1-10(2)13(16)14(21)18-7-4-8-19(18)15(22)17-11-5-3-6-12(9-11)20(23)24/h3,5-6,9-10,13H,4,7-8,16H2,1-2H3,(H,17,22)/t13-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161362
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(c(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C16H22FN5O4/c1-3-10(2)14(18)15(23)20-7-4-8-21(20)16(24)19-11-5-6-13(22(25)26)12(17)9-11/h5-6,9-10,14H,3-4,7-8,18H2,1-2H3,(H,19,24)/t10?,14-/m0/s1
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n/an/a 2.27E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161374
PNG
((S)-2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-o...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCSC1
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7?,8-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161372
PNG
(4-{[2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidin...)
Show SMILES CCOC(=O)c1ccc(NC(=O)N2CCCN2C(=O)[C@@H](N)C(C)CC)cc1
Show InChI InChI=1S/C19H28N4O4/c1-4-13(3)16(20)17(24)22-11-6-12-23(22)19(26)21-15-9-7-14(8-10-15)18(25)27-5-2/h7-10,13,16H,4-6,11-12,20H2,1-3H3,(H,21,26)/t13?,16-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161369
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C17H23N5O2/c1-3-12(2)15(19)16(23)21-8-5-9-22(21)17(24)20-14-7-4-6-13(10-14)11-18/h4,6-7,10,12,15H,3,5,8-9,19H2,1-2H3,(H,20,24)/t12?,15-/m0/s1
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n/an/a 4.04E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161368
PNG
(2-(2-Cyclohexylamino-acetyl)-pyrazolidine-1-carbox...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)N2CCCN2C(=O)CNC2CCCCC2)c1
Show InChI InChI=1S/C18H25N5O4/c24-17(13-19-14-6-2-1-3-7-14)21-10-5-11-22(21)18(25)20-15-8-4-9-16(12-15)23(26)27/h4,8-9,12,14,19H,1-3,5-7,10-11,13H2,(H,20,25)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161367
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C16H22ClN5O4/c1-3-10(2)14(18)15(23)20-7-4-8-21(20)16(24)19-11-5-6-13(22(25)26)12(17)9-11/h5-6,9-10,14H,3-4,7-8,18H2,1-2H3,(H,19,24)/t10?,14-/m0/s1
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n/an/a 4.71E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161370
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N4O2/c1-3-10(2)14(19)15(23)21-7-4-8-22(21)16(24)20-11-5-6-12(17)13(18)9-11/h5-6,9-10,14H,3-4,7-8,19H2,1-2H3,(H,20,24)/t10?,14-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161364
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H23N5O4/c1-3-11(2)14(17)15(22)19-9-4-10-20(19)16(23)18-12-5-7-13(8-6-12)21(24)25/h5-8,11,14H,3-4,9-10,17H2,1-2H3,(H,18,23)/t11?,14-/m0/s1
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n/an/a 7.06E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161373
PNG
(3-{[2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidin...)
Show SMILES CCOC(=O)c1cccc(NC(=O)N2CCCN2C(=O)[C@@H](N)C(C)CC)c1
Show InChI InChI=1S/C19H28N4O4/c1-4-13(3)16(20)17(24)22-10-7-11-23(22)19(26)21-15-9-6-8-14(12-15)18(25)27-5-2/h6,8-9,12-13,16H,4-5,7,10-11,20H2,1-3H3,(H,21,26)/t13?,16-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161371
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C17H23N5O2/c1-3-12(2)15(19)16(23)21-9-4-10-22(21)17(24)20-14-7-5-13(11-18)6-8-14/h5-8,12,15H,3-4,9-10,19H2,1-2H3,(H,20,24)/t12?,15-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161366
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H24N4O2/c1-3-12(2)14(17)15(21)19-10-7-11-20(19)16(22)18-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,17H2,1-2H3,(H,18,22)/t12?,14-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161363
PNG
(2-((S)-2-Amino-4-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H23N5O4/c1-11(2)9-14(17)15(22)19-7-4-8-20(19)16(23)18-12-5-3-6-13(10-12)21(24)25/h3,5-6,10-11,14H,4,7-9,17H2,1-2H3,(H,18,23)/t14-/m0/s1
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n/an/a 2.07E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161361
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-3-13(2)15(18)16(21)19-10-7-11-20(19)17(22)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12,18H2,1-2H3/t13?,15-/m0/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50161359
PNG
(2-((S)-2-Amino-3-methyl-pentanoyl)-pyrazolidine-1-...)
Show SMILES CCC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H23F3N4O2/c1-3-11(2)14(21)15(25)23-9-4-10-24(23)16(26)22-13-7-5-12(6-8-13)17(18,19)20/h5-8,11,14H,3-4,9-10,21H2,1-2H3,(H,22,26)/t11?,14-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl peptidase IV (DP-IV)

Bioorg Med Chem Lett 15: 1337-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.020
BindingDB Entry DOI: 10.7270/Q2NK3FS6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%