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10 similar compounds to monomer 16285

Compile data set for download or QSAR
Wt: 371.4
BDBM50335778
Wt: 353.4
BDBM50335779
Wt: 353.4
BDBM50335780
Wt: 383.2
BDBM50335783
Wt: 357.3
BDBM50335784
Purchase
Wt: 393.2
BDBM50335788
Wt: 353.4
BDBM50335790
Wt: 373.8
BDBM50335791
Wt: 325.3
BDBM50335792
Purchase
Wt: 352.4
BDBM50440470

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50335778,50335779,50335780,50335783,50335784,50335788,50335790,50335791,50335792,50440470   
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))
BDBM50335778
PNG
(2-((6-(3-(R)-Amino-3-methylpiperidin-1-yl)-3-methy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@](C)(N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1/C19H22FN5O2/c1-19(22)6-3-7-24(12-19)16-9-17(26)23(2)18(27)25(16)11-14-8-15(20)5-4-13(14)10-21/h4-5,8-9H,3,6-7,11-12,22H2,1-2H3/t19-/s2
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n/an/a 10n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335784
PNG
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/s2
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assay


J Med Chem 60: 6480-6515 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335780
PNG
((+/-)-2-{6-[Azepan-3((+/-)-ylamino]-3-methyl-2,4-d...)
Show SMILES Cn1c(=O)cc(NC2CCCCNC2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1/C19H23N5O2/c1-23-18(25)10-17(22-16-8-4-5-9-21-12-16)24(19(23)26)13-15-7-3-2-6-14(15)11-20/h2-3,6-7,10,16,21-22H,4-5,8-9,12-13H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335783
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2,5-dichlorobenzy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1/C17H20Cl2N4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(18)4-5-14(11)19/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/s2
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n/an/a 27n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335784
PNG
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/s2
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n/an/a 4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335788
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-3-...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O
Show InChI InChI=1/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/s2
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n/an/a 12n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335790
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-3-ethyl-2,4-dioxo-...)
Show SMILES CCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1/C19H23N5O2/c1-2-23-18(25)10-17(22-9-5-8-16(21)13-22)24(19(23)26)12-15-7-4-3-6-14(15)11-20/h3-4,6-7,10,16H,2,5,8-9,12-13,21H2,1H3/t16-/s2
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n/an/a 68n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335791
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-5-chloro-3-methyl-...)
Show SMILES Cn1c(=O)c(Cl)c(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1/C18H20ClN5O2/c1-22-17(25)15(19)16(23-8-4-7-14(21)11-23)24(18(22)26)10-13-6-3-2-5-12(13)9-20/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/t14-/s2
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n/an/a 57n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335792
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-2,4-dioxo-3,4-dihy...)
Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/s2
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n/an/a 4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50335778
PNG
(2-((6-(3-(R)-Amino-3-methylpiperidin-1-yl)-3-methy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@](C)(N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1/C19H22FN5O2/c1-19(22)6-3-7-24(12-19)16-9-17(26)23(2)18(27)25(16)11-14-8-15(20)5-4-13(14)10-21/h4-5,8-9H,3,6-7,11-12,22H2,1-2H3/t19-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50335783
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2,5-dichlorobenzy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1/C17H20Cl2N4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(18)4-5-14(11)19/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/s2
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n/an/a 8.60E+4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50335784
PNG
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50335788
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-3-...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O
Show InChI InChI=1/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50335792
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-2,4-dioxo-3,4-dihy...)
Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50440470
PNG
(CHEMBL2425883)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ccccc2)c1=O)N1CCC[C@@H](N)C1
Show InChI InChI=1/C20H24N4O2/c1-2-3-12-23-18(22-11-7-10-17(21)15-22)13-19(25)24(20(23)26)14-16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14-15,21H2,1H3/t17-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



First Affiliated Hospital of Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP-9 (unknown origin)


Eur J Med Chem 68: 312-20 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.010
BindingDB Entry DOI: 10.7270/Q23J3FDZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50440470
PNG
(CHEMBL2425883)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ccccc2)c1=O)N1CCC[C@@H](N)C1
Show InChI InChI=1/C20H24N4O2/c1-2-3-12-23-18(22-11-7-10-17(21)15-22)13-19(25)24(20(23)26)14-16-8-5-4-6-9-16/h4-6,8-9,13,17H,7,10-12,14-15,21H2,1H3/t17-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



First Affiliated Hospital of Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP-8 (unknown origin)


Eur J Med Chem 68: 312-20 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.010
BindingDB Entry DOI: 10.7270/Q23J3FDZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335779
PNG
((+/-)2-{6-[3((+/-)-Aminoazepan-1-yl]-3-methyl-2,4-...)
Show SMILES Cn1c(=O)cc(N2CCCCC(N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1/C19H23N5O2/c1-22-18(25)10-17(23-9-5-4-8-16(21)13-23)24(19(22)26)12-15-7-3-2-6-14(15)11-20/h2-3,6-7,10,16H,4-5,8-9,12-13,21H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair