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Compile Data Set for Download or QSAR

Found 759 hits with Last Name = 'scharpé' and Initial = 's'   
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))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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125n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](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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126n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](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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126n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118940
PNG
((S)-1-((S)-2-Amino-propionyl)-pyrrolidine-2-carbon...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C8H13N3O/c1-6(10)8(12)11-4-2-3-7(11)5-9/h6-7H,2-4,10H2,1H3/t6-,7-/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118943
PNG
((2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
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218n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50366428
PNG
(CHEMBL1793966)
Show SMILES CC(O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28?,33-,35-,36-,37+,38-,39+,40+,41-/m0/s1
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218n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118934
PNG
((S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione | ...)
Show SMILES C[C@H](N)C(=S)N1CCSC1
Show InChI InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118934
PNG
((S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione | ...)
Show SMILES C[C@H](N)C(=S)N1CCSC1
Show InChI InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118946
PNG
((S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione | C...)
Show SMILES C[C@H](N)C(=S)N1CCCC1
Show InChI InChI=1S/C7H14N2S/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118946
PNG
((S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione | C...)
Show SMILES C[C@H](N)C(=S)N1CCCC1
Show InChI InChI=1S/C7H14N2S/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118934
PNG
((S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione | ...)
Show SMILES C[C@H](N)C(=S)N1CCSC1
Show InChI InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
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7.88E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118934
PNG
((S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione | ...)
Show SMILES C[C@H](N)C(=S)N1CCSC1
Show InChI InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
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7.88E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](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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8.17E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](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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8.17E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)


(Homo sapiens (Human))
BDBM50118943
PNG
((2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
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2.47E+4n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50366428
PNG
(CHEMBL1793966)
Show SMILES CC(O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28?,33-,35-,36-,37+,38-,39+,40+,41-/m0/s1
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2.47E+4n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118946
PNG
((S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione | C...)
Show SMILES C[C@H](N)C(=S)N1CCCC1
Show InChI InChI=1S/C7H14N2S/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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4.76E+4n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118946
PNG
((S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione | C...)
Show SMILES C[C@H](N)C(=S)N1CCCC1
Show InChI InChI=1S/C7H14N2S/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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4.76E+4n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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1.25E+5n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146987
PNG
((S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-p...)
Show SMILES CN(CC[C@H](N)C(=O)N1CCCCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-20(13-14-5-7-15(18)8-6-14)12-9-16(19)17(22)21-10-3-2-4-11-21/h5-8,16H,2-4,9-13,19H2,1H3/t16-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146971
PNG
(2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccccc1Cl)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-7-3-2-6-13(14)12-19-9-8-15(18)16(21)20-10-4-1-5-11-20/h2-3,6-7,15,19H,1,4-5,8-12,18H2/t15-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146973
PNG
(2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidi...)
Show SMILES N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H31N3O2/c24-21(23(27)26-15-7-2-8-16-26)13-14-25-17-20-11-5-6-12-22(20)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,21,25H,2,7-8,13-18,24H2/t21-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146974
PNG
((S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-p...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(F)CC1
Show InChI InChI=1S/C16H23ClFN3O/c17-13-3-1-12(2-4-13)11-20-8-5-15(19)16(22)21-9-6-14(18)7-10-21/h1-4,14-15,20H,5-11,19H2/t15-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146952
PNG
(2-(S)-Amino-4-(4-benzyloxy-benzylamino)-1-piperidi...)
Show SMILES N[C@@H](CCNCc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H31N3O2/c24-22(23(27)26-15-5-2-6-16-26)13-14-25-17-19-9-11-21(12-10-19)28-18-20-7-3-1-4-8-20/h1,3-4,7-12,22,25H,2,5-6,13-18,24H2/t22-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146956
PNG
((S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-p...)
Show SMILES CC1CCN(CC1)C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-13-7-10-21(11-8-13)17(22)16(19)6-9-20-12-14-2-4-15(18)5-3-14/h2-5,13,16,20H,6-12,19H2,1H3/t16-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146967
PNG
((S)-2-Amino-4-dibenzylamino-1-piperidin-1-yl-butan...)
Show SMILES N[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2/t22-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146985
PNG
((S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-p...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCC(F)C1
Show InChI InChI=1S/C16H23ClFN3O/c17-13-5-3-12(4-6-13)10-20-8-7-15(19)16(22)21-9-1-2-14(18)11-21/h3-6,14-15,20H,1-2,7-11,19H2/t14?,15-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50191168
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-13(20-12-14-5-7-15(18)8-6-14)11-16(19)17(22)21-9-3-2-4-10-21/h5-8,13,16,20H,2-4,9-12,19H2,1H3/t13-,16-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146977
PNG
(2-(S)-Amino-4-(4-methoxy-benzylamino)-1-piperidin-...)
Show SMILES COc1ccc(CNCC[C@H](N)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C17H27N3O2/c1-22-15-7-5-14(6-8-15)13-19-10-9-16(18)17(21)20-11-3-2-4-12-20/h5-8,16,19H,2-4,9-13,18H2,1H3/t16-/m0/s1
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n/an/a 0.660n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146964
PNG
(2-(S)-Amino-1-piperidin-1-yl-4-[(pyridin-4-ylmethy...)
Show SMILES N[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C15H24N4O/c16-14(15(20)19-10-2-1-3-11-19)6-9-18-12-13-4-7-17-8-5-13/h4-5,7-8,14,18H,1-3,6,9-12,16H2/t14-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146957
PNG
(2-(S)-Amino-1-piperidin-1-yl-4-[(thiophen-2-ylmeth...)
Show SMILES N[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H23N3OS/c15-13(14(18)17-8-2-1-3-9-17)6-7-16-11-12-5-4-10-19-12/h4-5,10,13,16H,1-3,6-9,11,15H2/t13-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146954
PNG
(2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-buta...)
Show SMILES N[C@@H](CCNCCc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H27N3O/c18-16(17(21)20-13-5-2-6-14-20)10-12-19-11-9-15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14,18H2/t16-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146955
PNG
(2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin...)
Show SMILES N[C@@H](CCNCC1CCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H31N3O/c17-15(16(20)19-11-5-2-6-12-19)9-10-18-13-14-7-3-1-4-8-14/h14-15,18H,1-13,17H2/t15-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146991
PNG
(2-(S)-Amino-4-[(naphthalen-2-ylmethyl)-amino]-1-pi...)
Show SMILES N[C@@H](CCNCc1ccc2ccccc2c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H27N3O/c21-19(20(24)23-12-4-1-5-13-23)10-11-22-15-16-8-9-17-6-2-3-7-18(17)14-16/h2-3,6-9,14,19,22H,1,4-5,10-13,15,21H2/t19-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146968
PNG
((S)-2-Amino-4-(4-chloro-benzylamino)-1-(3,6-dihydr...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC=CC1
Show InChI InChI=1S/C16H22ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h1-2,4-7,15,19H,3,8-12,18H2/t15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146950
PNG
((S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-methyl-p...)
Show SMILES CC1CCCN(C1)C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-13-3-2-10-21(12-13)17(22)16(19)8-9-20-11-14-4-6-15(18)7-5-14/h4-7,13,16,20H,2-3,8-12,19H2,1H3/t13?,16-/m0/s1
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n/an/a 1.13n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146960
PNG
(2-(S)-Amino-4-[(naphthalen-1-ylmethyl)-amino]-1-pi...)
Show SMILES N[C@@H](CCNCc1cccc2ccccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H27N3O/c21-19(20(24)23-13-4-1-5-14-23)11-12-22-15-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10,19,22H,1,4-5,11-15,21H2/t19-/m0/s1
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n/an/a 1.31n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146961
PNG
(2-(S)-Amino-4-(3-chloro-benzylamino)-1-piperidin-1...)
Show SMILES N[C@@H](CCNCc1cccc(Cl)c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-5-13(11-14)12-19-8-7-15(18)16(21)20-9-2-1-3-10-20/h4-6,11,15,19H,1-3,7-10,12,18H2/t15-/m0/s1
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n/an/a 1.34n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146988
PNG
(CHEMBL440325 | N-((S)-3-Amino-4-oxo-4-piperidin-1-...)
Show SMILES CC(=O)NCC[C@H](N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H21N3O2/c1-9(15)13-6-5-10(12)11(16)14-7-3-2-4-8-14/h10H,2-8,12H2,1H3,(H,13,15)/t10-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146978
PNG
((S)-2-Amino-4-phenylamino-1-piperidin-1-yl-butan-1...)
Show SMILES N[C@@H](CCNc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C15H23N3O/c16-14(15(19)18-11-5-2-6-12-18)9-10-17-13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,5-6,9-12,16H2/t14-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146953
PNG
(2-(S)-Amino-4-(3-methoxy-benzylamino)-1-piperidin-...)
Show SMILES COc1cccc(CNCC[C@H](N)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C17H27N3O2/c1-22-15-7-5-6-14(12-15)13-19-9-8-16(18)17(21)20-10-3-2-4-11-20/h5-7,12,16,19H,2-4,8-11,13,18H2,1H3/t16-/m0/s1
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n/an/a 1.77n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146962
PNG
(CHEMBL101401 | N-((S)-3-Amino-4-oxo-4-piperidin-1-...)
Show SMILES N[C@@H](CCNC(N)=N)C(=O)N1CCCCC1
Show InChI InChI=1S/C10H21N5O/c11-8(4-5-14-10(12)13)9(16)15-6-2-1-3-7-15/h8H,1-7,11H2,(H4,12,13,14)/t8-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146965
PNG
(2-(S)-Amino-4-(3-phenyl-propylamino)-1-piperidin-1...)
Show SMILES N[C@@H](CCNCCCc1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H29N3O/c19-17(18(22)21-14-5-2-6-15-21)11-13-20-12-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17,20H,2,5-7,10-15,19H2/t17-/m0/s1
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n/an/a 1.91n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase II (DPP II)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
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