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Compile Data Set for Download or QSAR

Found 27 hits of ph data with Target = 'Dipeptidyl peptidase IV'   
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))
BDBM11928
PNG
((1S,3S,5S)-2-{[(2S,4S)-4-[(3-chloro-4-cyanophenyl)...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C18H18ClN5O/c19-15-5-12(2-1-10(15)7-20)23-13-6-16(22-9-13)18(25)24-14(8-21)3-11-4-17(11)24/h1-2,5,11,13-14,16-17,22-23H,3-4,6,9H2/t11-,13+,14+,16+,17+/m1/s1
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PubMed
3.60 -47.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11920
PNG
((1S,3S,5S)-2-{[(2S)-3,3-dimethylpyrrolidin-2-yl]ca...)
Show SMILES CC1(C)CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C13H19N3O/c1-13(2)3-4-15-11(13)12(17)16-9(7-14)5-8-6-10(8)16/h8-11,15H,3-6H2,1-2H3/t8-,9+,10+,11-/m1/s1
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PubMed
37 -42.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11927
PNG
(4-chloro-N-[(3S,5S)-5-{[(1S,3S,5S)-3-cyano-2-azabi...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C17H19ClN4O3S/c18-11-1-3-14(4-2-11)26(24,25)21-12-7-15(20-9-12)17(23)22-13(8-19)5-10-6-16(10)22/h1-4,10,12-13,15-16,20-21H,5-7,9H2/t10-,12+,13+,15+,16+/m1/s1
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39 -41.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11917
PNG
((1S,3S,5S)-2-[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-...)
Show SMILES O=C([C@H]1NC[C@@H]2C[C@H]12)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C12H15N3O/c13-4-8-1-6-3-10(6)15(8)12(16)11-9-2-7(9)5-14-11/h6-11,14H,1-3,5H2/t6-,7+,8+,9+,10+,11+/m1/s1
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PubMed
52 -41.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11925
PNG
(9H-fluoren-9-ylmethyl N-[(3S,5S)-5-{[(1S,3S,5S)-3-...)
Show SMILES O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C26H26N4O3/c27-12-17-9-15-10-24(15)30(17)25(31)23-11-16(13-28-23)29-26(32)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,15-17,22-24,28H,9-11,13-14H2,(H,29,32)/t15-,16+,17+,23+,24+/m1/s1
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57 -40.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11919
PNG
((1S,3S,5S)-2-{[(2S,3S)-3-methylpyrrolidin-2-yl]car...)
Show SMILES C[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C12H17N3O/c1-7-2-3-14-11(7)12(16)15-9(6-13)4-8-5-10(8)15/h7-11,14H,2-5H2,1H3/t7-,8+,9-,10-,11-/m0/s1
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126 -39.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11926
PNG
(N-[(3S,5S)-5-{[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1...)
Show SMILES CC(C)(C)CC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C17H26N4O2/c1-17(2,3)7-15(22)20-11-6-13(19-9-11)16(23)21-12(8-18)4-10-5-14(10)21/h10-14,19H,4-7,9H2,1-3H3,(H,20,22)/t10-,11+,12+,13+,14+/m1/s1
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133 -38.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11923
PNG
(substituted diprolyl nitrile 16 | tert-butyl N-[(3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-10-6-12(18-8-10)14(21)20-11(7-17)4-9-5-13(9)20/h9-13,18H,4-6,8H2,1-3H3,(H,19,22)/t9-,10+,11+,12+,13+/m1/s1
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140 -38.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11921
PNG
((1S,3S,5S)-2-{[(2S,3S)-3-ethylpyrrolidin-2-yl]carb...)
Show SMILES CC[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C13H19N3O/c1-2-8-3-4-15-12(8)13(17)16-10(7-14)5-9-6-11(9)16/h8-12,15H,2-6H2,1H3/t8-,9+,10-,11-,12-/m0/s1
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290 -36.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11914
PNG
((1S,3S,5S)-2-[(2S)-pyrrolidin-2-ylcarbonyl]-2-azab...)
Show SMILES O=C([C@@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C11H15N3O/c12-6-8-4-7-5-10(7)14(8)11(15)9-2-1-3-13-9/h7-10,13H,1-5H2/t7-,8+,9+,10+/m1/s1
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305 -36.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11924
PNG
(substituted diprolyl nitrile 17 | tert-butyl N-[(3...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-10-6-12(18-8-10)14(21)20-11(7-17)4-9-5-13(9)20/h9-13,18H,4-6,8H2,1-3H3,(H,19,22)/t9-,10-,11+,12+,13+/m1/s1
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492 -35.6n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11922
PNG
((1S,3S,5S)-2-{[(2S,3R)-3-(propan-2-yl)pyrrolidin-2...)
Show SMILES CC(C)[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C14H21N3O/c1-8(2)11-3-4-16-13(11)14(18)17-10(7-15)5-9-6-12(9)17/h8-13,16H,3-6H2,1-2H3/t9-,10+,11-,12+,13+/m1/s1
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695 -34.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11916
PNG
((1S,3S,5S)-2-[(2S)-azetidin-2-ylcarbonyl]-2-azabic...)
Show SMILES O=C([C@@H]1CCN1)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C10H13N3O/c11-5-7-3-6-4-9(6)13(7)10(14)8-1-2-12-8/h6-9,12H,1-4H2/t6-,7+,8+,9+/m1/s1
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11913
PNG
((1S,3S,5S)-2-[(2S)-piperidin-2-ylcarbonyl]-2-azabi...)
Show SMILES O=C([C@@H]1CCCCN1)N1[C@H]2C[C@H]2C[C@H]1C#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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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11918
PNG
((1S,3S,5S)-2-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexan-...)
Show SMILES O=C([C@@H]1C[C@@H]2C[C@@H]2N1)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C12H15N3O/c13-5-8-1-7-4-11(7)15(8)12(16)10-3-6-2-9(6)14-10/h6-11,14H,1-4H2/t6-,7+,8-,9-,10-,11-/m0/s1
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11915
PNG
((1S,3S,5S)-2-[(2R)-pyrrolidin-2-ylcarbonyl]-2-azab...)
Show SMILES O=C([C@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C11H15N3O/c12-6-8-4-7-5-10(7)14(8)11(15)9-2-1-3-13-9/h7-10,13H,1-5H2/t7-,8+,9-,10+/m1/s1
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>1.00E+4>-28.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


Bioorg Med Chem Lett 15: 3992-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.043
BindingDB Entry DOI: 10.7270/Q2CN7259
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11559
PNG
(N-({(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F
Show InChI InChI=1S/C22H26FN3O2/c23-20-11-5-4-9-17(20)13-18(24)14-21(27)26-12-6-10-19(26)15-25-22(28)16-7-2-1-3-8-16/h1-5,7-9,11,18-19H,6,10,12-15,24H2,(H,25,28)/t18-,19+/m1/s1
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PubMed
n/an/a 410n/an/an/an/a7.425



Santhera Pharmaceuticals



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...


Bioorg Med Chem Lett 16: 1744-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.103
BindingDB Entry DOI: 10.7270/Q2639MZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11558
PNG
((3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1...)
Show SMILES N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)Cc1ccccc1F
Show InChI InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1
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n/an/an/an/an/an/an/a7.425



Santhera Pharmaceuticals



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...


Bioorg Med Chem Lett 16: 1744-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.103
BindingDB Entry DOI: 10.7270/Q2639MZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11555
PNG
((1-phenylcyclopentyl)methanamine | 1-METHYLAMINE-1...)
Show SMILES NCC1(CCCC1)c1ccccc1
Show InChI InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
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n/an/a 3.00E+4n/an/an/an/a7.425



Santhera Pharmaceuticals



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...


Bioorg Med Chem Lett 16: 1744-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.103
BindingDB Entry DOI: 10.7270/Q2639MZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM11556
PNG
(2-(2-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine...)
Show SMILES NCC(N1CCOCC1)c1ccccc1Cl
Show InChI InChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
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n/an/a 4.60E+4n/an/an/an/a7.425



Santhera Pharmaceuticals



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...


Bioorg Med Chem Lett 16: 1744-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.103
BindingDB Entry DOI: 10.7270/Q2639MZX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1 -50.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM13792
PNG
(2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...)
Show SMILES CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O
Show InChI InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3
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2 -49.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Bioorg Med Chem Lett 16: 6226-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.024
BindingDB Entry DOI: 10.7270/Q2MP51H4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11645
PNG
(2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...)
Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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3 -48.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Bioorg Med Chem Lett 16: 6226-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.024
BindingDB Entry DOI: 10.7270/Q2MP51H4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11645
PNG
(2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...)
Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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3 -48.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11642
PNG
((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
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12 -44.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM13805
PNG
(2-{[2-(3-aminopiperidin-1-yl)-5,6-dimethyl-4,7-dio...)
Show SMILES Cn1n(C)c(=O)c2n(Cc3ccccc3C#N)c(nc2c1=O)N1CCCC(N)C1
Show InChI InChI=1S/C20H23N7O2/c1-24-18(28)16-17(19(29)25(24)2)27(11-14-7-4-3-6-13(14)10-21)20(23-16)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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17 -43.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Bioorg Med Chem Lett 16: 6226-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.024
BindingDB Entry DOI: 10.7270/Q2MP51H4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11643
PNG
((2S,5R)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-p...)
Show SMILES CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
Show InChI InChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1
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56 -41.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair