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3 similar compounds to monomer 50326378

Compile data set for download or QSAR
Wt: 331.3
BDBM12166
Wt: 366.4
BDBM50326375
Wt: 366.4
BDBM50326376

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 12166,50326375,50326376   
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))
BDBM12166
PNG
(5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H22FN3O2/c19-15-4-3-12-10-22(11-14(12)7-15)17(23)13-8-16(20-9-13)18(24)21-5-1-2-6-21/h3-4,7,13,16,20H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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n/an/a 73n/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 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12166
PNG
(5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H22FN3O2/c19-15-4-3-12-10-22(11-14(12)7-15)17(23)13-8-16(20-9-13)18(24)21-5-1-2-6-21/h3-4,7,13,16,20H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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n/an/a>2.00E+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 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Fibroblast Activation Protein (FAP)


(Homo sapiens (Human))
BDBM12166
PNG
(5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H22FN3O2/c19-15-4-3-12-10-22(11-14(12)7-15)17(23)13-8-16(20-9-13)18(24)21-5-1-2-6-21/h3-4,7,13,16,20H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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n/an/a 1.36E+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 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326376
PNG
((S)-1-((2S,4R)-4-(2-(isoindolin-2-yl)-2-oxoethyl)-...)
Show SMILES O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16+,17+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP8 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50326376
PNG
((S)-1-((2S,4R)-4-(2-(isoindolin-2-yl)-2-oxoethyl)-...)
Show SMILES O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16+,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP8 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP8 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP9 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50326376
PNG
((S)-1-((2S,4R)-4-(2-(isoindolin-2-yl)-2-oxoethyl)-...)
Show SMILES O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16+,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP9 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP9 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP2 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50326376
PNG
((S)-1-((2S,4R)-4-(2-(isoindolin-2-yl)-2-oxoethyl)-...)
Show SMILES O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16+,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP2 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP2 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50326376
PNG
((S)-1-((2S,4R)-4-(2-(isoindolin-2-yl)-2-oxoethyl)-...)
Show SMILES O=C(C[C@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16+,17+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12166
PNG
(5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H22FN3O2/c19-15-4-3-12-10-22(11-14(12)7-15)17(23)13-8-16(20-9-13)18(24)21-5-1-2-6-21/h3-4,7,13,16,20H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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n/an/a>2.00E+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 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
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Ligand-Target Pair