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12 similar compounds to monomer 11695

Compile data set for download or QSAR
Wt: 327.4
BDBM12642
Wt: 303.3
BDBM126821
Purchase
Wt: 303.3
BDBM123776
Purchase
Wt: 303.3
BDBM50129889
Purchase
Wt: 328.4
BDBM50187263
Wt: 303.3
BDBM50187299
Wt: 291.3
BDBM50320306
Wt: 277.3
BDBM50320301
Wt: 291.3
BDBM50320295
Wt: 305.4
BDBM50320296
Wt: 291.3
BDBM50320299
Wt: 291.3
BDBM50320300

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 12642,126821,123776,50129889,50187263,50187299,50320306,50320301,50320295,50320296,50320299,50320300   
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))
BDBM12642
PNG
((2S,5R)-5-ethynyl-1-[N-(3-hydroxy-1-adamantyl)glyc...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C19H25N3O2/c1-2-15-3-4-16(10-20)22(15)17(23)11-21-18-6-13-5-14(7-18)9-19(24,8-13)12-18/h1,13-16,21,24H,3-9,11-12H2/t13?,14?,15-,16-,18?,19?/m0/s1
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62n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM12642
PNG
((2S,5R)-5-ethynyl-1-[N-(3-hydroxy-1-adamantyl)glyc...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C19H25N3O2/c1-2-15-3-4-16(10-20)22(15)17(23)11-21-18-6-13-5-14(7-18)9-19(24,8-13)12-18/h1,13-16,21,24H,3-9,11-12H2/t13?,14?,15-,16-,18?,19?/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12642
PNG
((2S,5R)-5-ethynyl-1-[N-(3-hydroxy-1-adamantyl)glyc...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C19H25N3O2/c1-2-15-3-4-16(10-20)22(15)17(23)11-21-18-6-13-5-14(7-18)9-19(24,8-13)12-18/h1,13-16,21,24H,3-9,11-12H2/t13?,14?,15-,16-,18?,19?/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129889
PNG
(1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...)
Show SMILES O[C@]12C[C@@H]3C[C@H](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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n/an/a 2.70n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50129889
PNG
(1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...)
Show SMILES O[C@]12C[C@@H]3C[C@H](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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n/an/a 2.10E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Post-proline cleaving enzyme (PPCE) obtained from human erythrocytes


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50129889
PNG
(1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...)
Show SMILES O[C@]12C[C@@H]3C[C@H](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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n/an/a 2.30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from rat plasma


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50129889
PNG
(1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...)
Show SMILES O[C@]12C[C@@H]3C[C@H](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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n/an/a 3.5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50129889
PNG
(1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...)
Show SMILES O[C@]12C[C@@H]3C[C@H](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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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl peptidase II (DPP II) obtained form bovine kidney homogenate


J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of APP


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP2


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50320301
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)
Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/m0/s1
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n/an/a 7.93E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187299
PNG
((2S,4S)-1-[2-(Adamantan-1-ylamino)-acetyl]-4-hydro...)
Show SMILES O[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H25N3O2/c18-8-14-4-15(21)10-20(14)16(22)9-19-17-5-11-1-12(6-17)3-13(2-11)7-17/h11-15,19,21H,1-7,9-10H2/t11?,12?,13?,14-,15-,17?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50320295
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 3.57E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50320296
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)
Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 3.74E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50320299
PNG
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1
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n/an/a 235n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50320300
PNG
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50320301
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)
Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/m0/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50320295
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50320296
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)
Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50320299
PNG
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50320300
PNG
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320301
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)
Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320295
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320296
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)
Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320306
PNG
((S)-1-(2-((2beta,3aR,5R,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320299
PNG
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320300
PNG
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAP


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM126821
PNG
(US8785477, Vildagliptin)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCCC1C#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
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US Patent
n/an/a 80.1n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37 C. and then primed reaction by adding sub...


US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM123776
PNG
((2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl...)
Show SMILES O[C@]12C[C@@H]3C[C@H](C1)C[C@@](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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n/an/a 3.5n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.


Chem Biol Drug Des 84: 364-77 (2014)


Article DOI: 10.1111/cbdd.12327
BindingDB Entry DOI: 10.7270/Q2D21W96
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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n/an/a 74n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair