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Compile Data Set for Download or QSAR

Found 132 hits Enz. Inhib. hit(s) with all data for entry = 50037211   
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))
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))
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))
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 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 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 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))
BDBM50135078
PNG
((S)-1-(2,4-Diamino-butyryl)-piperidine-2-carbonitr...)
Show SMILES NCCC(N)C(=O)N1CCCC[C@H]1C#N
Show InChI InChI=1S/C10H18N4O/c11-5-4-9(13)10(15)14-6-2-1-3-8(14)7-12/h8-9H,1-6,11,13H2/t8-,9?/m0/s1
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n/an/a 38n/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))
BDBM50135044
PNG
(2,4-Diamino-1-piperidin-1-yl-butan-1-one | CHEMBL1...)
Show SMILES NCCC(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2
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n/an/a 130n/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
3D
3D Structure (crystal)
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50135042
PNG
(2,4-Diamino-1-thiazolidin-3-yl-butan-1-one | CHEMB...)
Show SMILES NCCC(N)C(=O)N1CCSC1
Show InChI InChI=1S/C7H15N3OS/c8-2-1-6(9)7(11)10-3-4-12-5-10/h6H,1-5,8-9H2
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n/an/a 140n/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))
BDBM50135055
PNG
((S)-2,5-Diamino-1-piperidin-1-yl-pentane-1-thione ...)
Show SMILES NCCC[C@H](N)C(=S)N1CCCCC1
Show InChI InChI=1S/C10H21N3S/c11-6-4-5-9(12)10(14)13-7-2-1-3-8-13/h9H,1-8,11-12H2/t9-/m0/s1
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n/an/a 200n/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))
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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n/an/a 200n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50135050
PNG
((S)-2,4-Diamino-1-piperidin-1-yl-butane-1-thione |...)
Show SMILES NCC[C@H](N)C(=S)N1CCCCC1
Show InChI InChI=1S/C9H19N3S/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1
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n/an/a 220n/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))
BDBM50135070
PNG
((S)-1-(2,6-Diamino-hexanoyl)-pyrrolidine-2-carboni...)
Show SMILES NCCCCC(N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H20N4O/c12-6-2-1-5-10(14)11(16)15-7-3-4-9(15)8-13/h9-10H,1-7,12,14H2/t9-,10?/m0/s1
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n/an/a 320n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50118935
PNG
(2-Amino-3-(1H-imidazol-4-yl)-1-piperidin-1-yl-prop...)
Show SMILES NC(Cc1cnc[nH]1)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H18N4O/c12-10(6-9-7-13-8-14-9)11(16)15-4-2-1-3-5-15/h7-8,10H,1-6,12H2,(H,13,14)
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n/an/a 330n/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))
BDBM50118945
PNG
(2,5-Diamino-1-piperidin-1-yl-pentan-1-one | CHEMBL...)
Show SMILES NCCCC(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C10H21N3O/c11-6-4-5-9(12)10(14)13-7-2-1-3-8-13/h9H,1-8,11-12H2
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n/an/a 450n/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))
BDBM50135057
PNG
((R)-2,6-Diamino-1-piperidin-1-yl-hexane-1-thione |...)
Show SMILES NCCCC[C@@H](N)C(=S)N1CCCCC1
Show InChI InChI=1S/C11H23N3S/c12-7-3-2-6-10(13)11(15)14-8-4-1-5-9-14/h10H,1-9,12-13H2/t10-/m1/s1
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n/an/a 490n/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))
BDBM50135079
PNG
(2,4-Diamino-1-morpholin-4-yl-butan-1-one | CHEMBL3...)
Show SMILES NCCC(N)C(=O)N1CCOCC1
Show InChI InChI=1S/C8H17N3O2/c9-2-1-7(10)8(12)11-3-5-13-6-4-11/h7H,1-6,9-10H2
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n/an/a 510n/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))
BDBM50135058
PNG
(CHEMBL145862 | N-(4-Amino-5-oxo-5-piperidin-1-yl-p...)
Show SMILES NC(CCCNC(N)=N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H23N5O/c12-9(5-4-6-15-11(13)14)10(17)16-7-2-1-3-8-16/h9H,1-8,12H2,(H4,13,14,15)
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n/an/a 630n/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))
BDBM50135085
PNG
(2,5-Diamino-1-thiazolidin-3-yl-pentan-1-one | CHEM...)
Show SMILES NCCCC(N)C(=O)N1CCSC1
Show InChI InChI=1S/C8H17N3OS/c9-3-1-2-7(10)8(12)11-4-5-13-6-11/h7H,1-6,9-10H2
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n/an/a 750n/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))
BDBM50135070
PNG
((S)-1-(2,6-Diamino-hexanoyl)-pyrrolidine-2-carboni...)
Show SMILES NCCCCC(N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H20N4O/c12-6-2-1-5-10(14)11(16)15-7-3-4-9(15)8-13/h9-10H,1-7,12,14H2/t9-,10?/m0/s1
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n/an/a 1.00E+3n/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))
BDBM50135044
PNG
(2,4-Diamino-1-piperidin-1-yl-butan-1-one | CHEMBL1...)
Show SMILES NCCC(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2
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n/an/a 1.15E+3n/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
3D
3D Structure (crystal)
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118942
PNG
(2-Amino-3-(1H-imidazol-4-yl)-1-pyrrolidin-1-yl-pro...)
Show SMILES NC(Cc1cnc[nH]1)C(=O)N1CCCC1
Show InChI InChI=1S/C10H16N4O/c11-9(5-8-6-12-7-13-8)10(15)14-3-1-2-4-14/h6-7,9H,1-5,11H2,(H,12,13)
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n/an/a 1.20E+3n/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))
BDBM50135063
PNG
(1-(2,6-Diamino-hexanoyl)-piperidine-2-carbonitrile...)
Show SMILES NCCCCC(N)C(=O)N1CCCCC1C#N
Show InChI InChI=1S/C12H22N4O/c13-7-3-1-6-11(15)12(17)16-8-4-2-5-10(16)9-14/h10-11H,1-8,13,15H2
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n/an/a 1.50E+3n/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))
BDBM50135043
PNG
(2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one |...)
Show SMILES CCC(C)C(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
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50135083
PNG
(2,3-Diamino-1-piperidin-1-yl-propan-1-one | CHEMBL...)
Show SMILES NCC(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C8H17N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h7H,1-6,9-10H2
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n/an/a 1.84E+3n/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))
BDBM50135056
PNG
(2,6-Diamino-1-thiazolidin-3-yl-hexan-1-one | CHEMB...)
Show SMILES NCCCCC(N)C(=O)N1CCSC1
Show InChI InChI=1S/C9H19N3OS/c10-4-2-1-3-8(11)9(13)12-5-6-14-7-12/h8H,1-7,10-11H2
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n/an/a 3.00E+3n/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))
BDBM50135056
PNG
(2,6-Diamino-1-thiazolidin-3-yl-hexan-1-one | CHEMB...)
Show SMILES NCCCCC(N)C(=O)N1CCSC1
Show InChI InChI=1S/C9H19N3OS/c10-4-2-1-3-8(11)9(13)12-5-6-14-7-12/h8H,1-7,10-11H2
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n/an/a 3.00E+3n/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))
BDBM50135074
PNG
(2-Amino-1-(3-fluoro-pyrrolidin-1-yl)-3-methyl-pent...)
Show SMILES CCC(C)C(N)C(=O)N1CCC(F)C1
Show InChI InChI=1S/C10H19FN2O/c1-3-7(2)9(12)10(14)13-5-4-8(11)6-13/h7-9H,3-6,12H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50135054
PNG
(CHEMBL344507 | Compound 9.35 | [(2-Cyclopentylamin...)
Show SMILES O=C(CNC1CCCC1)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C26H29N2O4P/c29-25(20-27-22-14-10-11-15-22)28-26(21-12-4-1-5-13-21)33(30,31-23-16-6-2-7-17-23)32-24-18-8-3-9-19-24/h1-9,12-13,16-19,22,26-27H,10-11,14-15,20H2,(H,28,29)
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n/an/a 3.80E+3n/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))
BDBM50135065
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one | ...)
Show SMILES CCC(C)C(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
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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
3D
3D Structure (crystal)
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50135059
PNG
(2,6-Diamino-1-(3-azido-pyrrolidin-1-yl)-hexan-1-on...)
Show SMILES NCCCCC(N)C(=O)N1CCC(C1)N=[N+]=[N-]
Show InChI InChI=1S/C10H20N6O/c11-5-2-1-3-9(12)10(17)16-6-4-8(7-16)14-15-13/h8-9H,1-7,11-12H2
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n/an/a 4.90E+3n/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))
BDBM50118947
PNG
(2,6-Diamino-1-pyrrolidin-1-yl-hexan-1-one | CHEMBL...)
Show SMILES NCCCCC(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H21N3O/c11-6-2-1-5-9(12)10(14)13-7-3-4-8-13/h9H,1-8,11-12H2
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n/an/a 9.90E+3n/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))
BDBM50135071
PNG
(2-Amino-2-cyclohexyl-1-piperidin-1-yl-ethanone | C...)
Show SMILES NC(C1CCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H24N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h11-12H,1-10,14H2
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n/an/a 9.90E+3n/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))
BDBM50135068
PNG
(2,6-Diamino-1-(3,6-dihydro-2H-pyridin-1-yl)-hexan-...)
Show SMILES NCCCCC(N)C(=O)N1CCC=CC1
Show InChI InChI=1S/C11H21N3O/c12-7-3-2-6-10(13)11(15)14-8-4-1-5-9-14/h1,4,10H,2-3,5-9,12-13H2
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n/an/a 1.09E+4n/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))
BDBM50118937
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-pyrrolidin-1-yl-pro...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C13H18N2O2/c14-12(13(17)15-7-1-2-8-15)9-10-3-5-11(16)6-4-10/h3-6,12,16H,1-2,7-9,14H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50118944
PNG
(CHEMBL273579 | Pyrrolidin-2-yl-pyrrolidin-1-yl-met...)
Show SMILES O=C(C1CCCN1)N1CCCC1
Show InChI InChI=1S/C9H16N2O/c12-9(8-4-3-5-10-8)11-6-1-2-7-11/h8,10H,1-7H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50135048
PNG
(2-Amino-2-cyclohexyl-1-pyrrolidin-1-yl-ethanone | ...)
Show SMILES NC(C1CCCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50135058
PNG
(CHEMBL145862 | N-(4-Amino-5-oxo-5-piperidin-1-yl-p...)
Show SMILES NC(CCCNC(N)=N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H23N5O/c12-9(5-4-6-15-11(13)14)10(17)16-7-2-1-3-8-16/h9H,1-8,12H2,(H4,13,14,15)
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n/an/a 1.81E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50118939
PNG
(2-Amino-3-phenyl-1-pyrrolidin-1-yl-propan-1-one | ...)
Show SMILES NC(Cc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C13H18N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h1-3,6-7,12H,4-5,8-10,14H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50118942
PNG
(2-Amino-3-(1H-imidazol-4-yl)-1-pyrrolidin-1-yl-pro...)
Show SMILES NC(Cc1cnc[nH]1)C(=O)N1CCCC1
Show InChI InChI=1S/C10H16N4O/c11-9(5-8-6-12-7-13-8)10(15)14-3-1-2-4-14/h6-7,9H,1-5,11H2,(H,12,13)
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n/an/a 2.31E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50135043
PNG
(2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one |...)
Show SMILES CCC(C)C(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
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n/an/a 2.80E+4n/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))
BDBM50135053
PNG
(2,4-Diamino-1-piperazin-1-yl-butan-1-one | CHEMBL1...)
Show SMILES NCCC(N)C(=O)N1CCNCC1
Show InChI InChI=1S/C8H18N4O/c9-2-1-7(10)8(13)12-5-3-11-4-6-12/h7,11H,1-6,9-10H2
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n/an/a 2.93E+4n/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))
BDBM50135062
PNG
(2-Amino-1-piperidin-1-yl-hexan-1-one | CHEMBL14731...)
Show SMILES CCCCC(N)C(=O)N1CCCCC1
Show InChI InChI=1S/C11H22N2O/c1-2-3-7-10(12)11(14)13-8-5-4-6-9-13/h10H,2-9,12H2,1H3
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n/an/a 3.24E+4n/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))
BDBM50118947
PNG
(2,6-Diamino-1-pyrrolidin-1-yl-hexan-1-one | CHEMBL...)
Show SMILES NCCCCC(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H21N3O/c11-6-2-1-5-9(12)10(14)13-7-3-4-8-13/h9H,1-8,11-12H2
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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))
BDBM50118951
PNG
(2-Amino-1-pyrrolidin-1-yl-propan-1-one | CHEMBL167...)
Show SMILES CC(N)C(=O)N1CCCC1
Show InChI InChI=1S/C7H14N2O/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity 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
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