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3 similar compounds to monomer 12167

Compile data set for download or QSAR
Wt: 313.3
BDBM12165
Wt: 382.2
BDBM12170
Wt: 400.8
BDBM50326377

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 12165,12170,50326377   
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))
BDBM12165
PNG
(2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H23N3O2/c22-17(21-11-13-5-1-2-6-14(13)12-21)15-9-16(19-10-15)18(23)20-7-3-4-8-20/h1-2,5-6,15-16,19H,3-4,7-12H2/t15-,16-/m0/s1
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n/an/a 109n/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))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
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n/an/a 144n/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 VIII


(Homo sapiens (Human))
BDBM12165
PNG
(2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H23N3O2/c22-17(21-11-13-5-1-2-6-14(13)12-21)15-9-16(19-10-15)18(23)20-7-3-4-8-20/h1-2,5-6,15-16,19H,3-4,7-12H2/t15-,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
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
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n/an/a 1.22E+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
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12165
PNG
(2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H23N3O2/c22-17(21-11-13-5-1-2-6-14(13)12-21)15-9-16(19-10-15)18(23)20-7-3-4-8-20/h1-2,5-6,15-16,19H,3-4,7-12H2/t15-,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
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50326377
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Chloro-1,3-dihydro-2H-iso...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21ClN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,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
Fibroblast Activation Protein (FAP)


(Homo sapiens (Human))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
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n/an/a 5.13E+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 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))
BDBM50326377
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Chloro-1,3-dihydro-2H-iso...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21ClN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,16-,17-/m0/s1
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n/an/a 66n/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))
BDBM50326377
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Chloro-1,3-dihydro-2H-iso...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21ClN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,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 IX


(Homo sapiens (Human))
BDBM50326377
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Chloro-1,3-dihydro-2H-iso...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21ClN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,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))
BDBM50326377
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Chloro-1,3-dihydro-2H-iso...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21ClN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,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
Fibroblast Activation Protein (FAP)


(Homo sapiens (Human))
BDBM12165
PNG
(2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H23N3O2/c22-17(21-11-13-5-1-2-6-14(13)12-21)15-9-16(19-10-15)18(23)20-7-3-4-8-20/h1-2,5-6,15-16,19H,3-4,7-12H2/t15-,16-/m0/s1
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n/an/a 1.70E+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