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PubMed code 15357972

Compile data set for download or QSAR
Found 30 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))		BDBM50150870
PNG
(6-{2-[2-((S)-5-Cyano-pyrazolidin-1-yl)-2-oxo-ethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1NCC[C@H]1C#N
Show InChI InChI=1S/C14H17N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,9,12,17,20H,3-6,10H2,(H,18,19)/t12-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))		BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50150858
PNG
(6-{2-[2-((S)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150858
PNG
(6-{2-[2-((S)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 410n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))		BDBM50150858
PNG
(6-{2-[2-((S)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150860
PNG
(CHEMBL361656 | [(S)-5-Amino-1-(5-cyano-4,5-dihydro...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1N=CCC1C#N |c:21|
Show InChI InChI=1S/C18H23N5O3/c19-10-5-4-8-16(17(24)23-15(12-20)9-11-21-23)22-18(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,11,15-16H,4-5,8-10,13,19H2,(H,22,25)/t15?,16-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))		BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 960n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150865
PNG
(2-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...)
Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2N=CCC2C#N)nc1 |c:15|
Show InChI InChI=1S/C13H15N7O3/c14-7-10-3-4-18-19(10)13(21)9-15-5-6-16-12-2-1-11(8-17-12)20(22)23/h1-2,4,8,10,15H,3,5-6,9H2,(H,16,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150862
PNG
(2-((R)-2-Amino-propionyl)-3,4-dihydro-2H-pyrazole-...)
Show SMILES C[C@@H](N)C(=O)N1N=CCC1C#N |c:6|
Show InChI InChI=1S/C7H10N4O/c1-5(9)7(12)11-6(4-8)2-3-10-11/h3,5-6H,2,9H2,1H3/t5-,6?/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150866
PNG
(2-{2-[4-(5-Nitro-pyridin-2-ylamino)-cyclohexylamin...)
Show SMILES [O-][N+](=O)c1ccc(NC2CCC(CC2)NCC(=O)N2N=CCC2C#N)nc1 |c:20,(-9.6,.58,;-8.34,-.26,;-8.45,-1.81,;-6.97,.4,;-6.83,1.93,;-5.48,2.6,;-4.2,1.74,;-2.81,2.41,;-1.55,1.53,;-1.65,,;-.39,-.84,;1,-.17,;1.09,1.35,;-.16,2.22,;2.26,-1.03,;3.56,-.56,;4.49,-1.64,;4.1,-3.02,;6.05,-1.68,;6.95,-3.01,;8.47,-2.56,;8.51,-.98,;7.01,-.44,;6.59,1.08,;6.14,2.6,;-4.3,.21,;-5.67,-.47,)|
Show InChI InChI=1S/C17H21N7O3/c18-9-14-7-8-21-23(14)17(25)11-19-12-1-3-13(4-2-12)22-16-6-5-15(10-20-16)24(26)27/h5-6,8,10,12-14,19H,1-4,7,11H2,(H,20,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150856
PNG
(2-(2-Cyclopentylamino-acetyl)-3,4-dihydro-2H-pyraz...)
Show SMILES O=C(CNC1CCCC1)N1N=CCC1C#N |c:11|
Show InChI InChI=1S/C11H16N4O/c12-7-10-5-6-14-15(10)11(16)8-13-9-3-1-2-4-9/h6,9-10,13H,1-5,8H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150869
PNG
(2-[2-(Adamantan-1-ylamino)-acetyl]-3,4-dihydro-2H-...)
Show SMILES O=C(CNC12CC3CC(CC(C3)C1)C2)N1N=CCC1C#N |c:18,TLB:11:10:13:6.5.7,11:6:13:10.12.9,THB:9:10:5:8.13.7,9:8:5:10.12.11|
Show InChI InChI=1S/C16H22N4O/c17-9-14-1-2-19-20(14)15(21)10-18-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-14,18H,1,3-8,10H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150867
PNG
(2-((R)-2-Amino-3-methyl-butyryl)-3,4-dihydro-2H-py...)
Show SMILES CC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:8|
Show InChI InChI=1S/C9H14N4O/c1-6(2)8(11)9(14)13-7(5-10)3-4-12-13/h4,6-8H,3,11H2,1-2H3/t7?,8-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150853
PNG
(2-(2-tert-Butylamino-acetyl)-3,4-dihydro-2H-pyrazo...)
Show SMILES CC(C)(C)NCC(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-10(2,3)12-7-9(15)14-8(6-11)4-5-13-14/h5,8,12H,4,7H2,1-3H3
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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 concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150859
PNG
(2-[2-(Bicyclo[2.2.1]hept-2-ylamino)-acetyl]-3,4-di...)
Show SMILES O=C(CNC1CC2CCC1C2)N1N=CCC1C#N |c:14,TLB:3:4:10:8.7|
Show InChI InChI=1S/C13H18N4O/c14-7-11-3-4-16-17(11)13(18)8-15-12-6-9-1-2-10(12)5-9/h4,9-12,15H,1-3,5-6,8H2
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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 concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150853
PNG
(2-(2-tert-Butylamino-acetyl)-3,4-dihydro-2H-pyrazo...)
Show SMILES CC(C)(C)NCC(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-10(2,3)12-7-9(15)14-8(6-11)4-5-13-14/h5,8,12H,4,7H2,1-3H3
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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 concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150868
PNG
(2-(2-Cyclohexylamino-acetyl)-3,4-dihydro-2H-pyrazo...)
Show SMILES O=C(CNC1CCCCC1)N1N=CCC1C#N |c:12|
Show InChI InChI=1S/C12H18N4O/c13-8-11-6-7-15-16(11)12(17)9-14-10-4-2-1-3-5-10/h7,10-11,14H,1-6,9H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150868
PNG
(2-(2-Cyclohexylamino-acetyl)-3,4-dihydro-2H-pyrazo...)
Show SMILES O=C(CNC1CCCCC1)N1N=CCC1C#N |c:12|
Show InChI InChI=1S/C12H18N4O/c13-8-11-6-7-15-16(11)12(17)9-14-10-4-2-1-3-5-10/h7,10-11,14H,1-6,9H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150855
PNG
(2-(2-Cyclooctylamino-acetyl)-3,4-dihydro-2H-pyrazo...)
Show SMILES O=C(CNC1CCCCCCC1)N1N=CCC1C#N |c:14|
Show InChI InChI=1S/C14H22N4O/c15-10-13-8-9-17-18(13)14(19)11-16-12-6-4-2-1-3-5-7-12/h9,12-13,16H,1-8,11H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50150857
PNG
(6-{2-[2-((R)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m1/s1
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n/an/a 2.62E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150861
PNG
(2-[2-(Adamantan-2-ylamino)-acetyl]-3,4-dihydro-2H-...)
Show SMILES O=C(CNC1C2CC3CC(C2)CC1C3)N1N=CCC1C#N |c:18,TLB:3:4:11:7.13.8,6:7:11:5.4.10,THB:8:9:4:7.6.13,8:7:4:9.11.10,6:5:11:7.13.8,(1.29,-2.85,;1.68,-1.47,;.76,-.4,;-.54,-.88,;-1.71,.08,;-3.29,-.19,;-4.09,-1.22,;-4.09,.15,;-4.89,1.64,;-4,2.95,;-4.21,1.53,;-2.47,2.9,;-1.76,1.55,;-2.56,.36,;3.21,-1.52,;4.08,-2.82,;5.6,-2.39,;5.64,-.83,;4.15,-.28,;3.74,1.21,;3.28,2.69,)|
Show InChI InChI=1S/C16H22N4O/c17-8-14-1-2-19-20(14)15(21)9-18-16-12-4-10-3-11(6-12)7-13(16)5-10/h2,10-14,16,18H,1,3-7,9H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150863
PNG
(2-((S)-2-Amino-4-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CC(C)C[C@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-7(2)5-9(12)10(15)14-8(6-11)3-4-13-14/h4,7-9H,3,5,12H2,1-2H3/t8?,9-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150852
PNG
(CHEMBL362297 | N-{4-[2-(5-Cyano-4,5-dihydro-pyrazo...)
Show SMILES O=C(CNC1CCC(CC1)NC(=O)c1ccccc1)N1N=CCC1C#N |c:22,(3.2,-2.71,;3.6,-1.33,;2.67,-.23,;1.35,-.72,;.08,.14,;-1.3,-.54,;-2.58,.33,;-2.46,1.87,;-1.09,2.54,;.19,1.68,;-3.75,2.73,;-5.12,2.07,;-6.39,2.93,;-5.22,.53,;-6.6,-.14,;-6.71,-1.66,;-5.43,-2.52,;-4.05,-1.83,;-3.96,-.31,;5.16,-1.38,;6.05,-2.68,;7.59,-2.25,;7.63,-.66,;6.12,-.1,;5.7,1.4,;5.25,2.93,)|
Show InChI InChI=1S/C19H23N5O2/c20-12-17-10-11-22-24(17)18(25)13-21-15-6-8-16(9-7-15)23-19(26)14-4-2-1-3-5-14/h1-5,11,15-17,21H,6-10,13H2,(H,23,26)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150857
PNG
(6-{2-[2-((R)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50150864
PNG
(2-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-3,4-d...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1N=CCC1C#N |c:19,TLB:4:3:10:5.7.6,4:5:10:3.9.2,THB:2:1:7:3.9.4,2:3:7:1.10.6,0:1:7:3.9.4|
Show InChI InChI=1S/C16H22N4O2/c17-8-13-1-2-19-20(13)14(21)9-18-15-4-11-3-12(5-15)7-16(22,6-11)10-15/h2,11-13,18,22H,1,3-7,9-10H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))		BDBM50150857
PNG
(6-{2-[2-((R)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m1/s1
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n/an/a 6.82E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney

Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%