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BDBM11464 (2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one::BMCL15687 Compound 4::CHEMBL98408::P32-98::thiazolidide 2

SMILES: CC[C@H](C)[C@H](N)C(=O)N1CCSC1

InChI Key: InChIKey=WCRLBFHWFPELKW-YUMQZZPRSA-N

Data: 6 KI  20 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 11464   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 |r|
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))
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 |r|
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)


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 |r|
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



CHUV-UNIL

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


J Med Chem 57: 2197-212 (2014)


Article DOI: 10.1021/jm400658e
BindingDB Entry DOI: 10.7270/Q2TB18F1
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 |r|
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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dipeptidyl-peptidase IV


J Med Chem 47: 4135-41 (2004)


Article DOI: 10.1021/jm030628v
BindingDB Entry DOI: 10.7270/Q2902380
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 |r|
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))
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 |r|
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)


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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 140n/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 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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.66E+3n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl-peptidase IV.


Bioorg Med Chem Lett 14: 43-6 (2003)


BindingDB Entry DOI: 10.7270/Q26972ZM
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against quiescent cell prolyl peptidase (QPP).


Bioorg Med Chem Lett 14: 43-6 (2003)


BindingDB Entry DOI: 10.7270/Q26972ZM
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or DPP-VII


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 364n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.70E+3n/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 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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 2.80E+4n/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 9


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (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 VIII


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (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 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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 364n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2533-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2K935SH
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 420n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2533-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2K935SH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(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 |r|
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2533-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2K935SH
More data for this
Ligand-Target Pair