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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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Article
7.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate preinc...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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Article
1.90E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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1.90E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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Article
2.30E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM26197
PNG
(CHEMBL112 | N-(4-hydroxyphenyl)acetamide | Norco |...)
Show SMILES CC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
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2.50E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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2.80E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Bos mutus)
BDBM50174201
PNG
(ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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3.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...


Citation and Details

Article DOI: 10.1007/s00044-010-9454-7
BindingDB Entry DOI: 10.7270/Q2Z60RZ1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595287
PNG
(CHEMBL5193958)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595285
PNG
(CHEMBL5175079)
Show SMILES Cc1cc(=O)c2c3c(c(O)cc2c1=O)c1c(O)cccc1c3=O
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n/an/a 1.44E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85267
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES Clc1ccccc1C1C(C(C1c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1 |t:24,49,(10.42,-5.22,;9.09,-5.99,;9.09,-7.53,;7.75,-8.3,;6.42,-7.53,;6.42,-5.99,;7.75,-5.22,;7.76,-3.68,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.61,-4.91,;-2.82,-6.05,;-1.32,-5.66,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;19.21,-3.29,;19.04,-2.08,;17.55,-1.68,)|
Show InChI InChI=1S/C36H30Cl2N8/c37-23-7-3-1-5-21(23)29-31(35-43-25-11-9-19(17-27(25)45-35)33-39-13-14-40-33)30(22-6-2-4-8-24(22)38)32(29)36-44-26-12-10-20(18-28(26)46-36)34-41-15-16-42-34/h1-12,17-18,29-32H,13-16H2,(H,39,40)(H,41,42)(H,43,45)(H,44,46)/p+2
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n/an/a>1.70E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85264
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccccc1 |c:2,t:40,(19.08,-1.84,;19.4,-3.35,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.64,-4.77,;-2.81,-6.06,;-1.32,-5.66,;7.76,.04,;6.43,.81,;6.43,2.35,;7.76,3.12,;9.1,2.35,;9.1,.81,)|
Show InChI InChI=1S/C36H32N8/c1-3-7-21(8-4-1)29-31(35-41-25-13-11-23(19-27(25)43-35)33-37-15-16-38-33)30(22-9-5-2-6-10-22)32(29)36-42-26-14-12-24(20-28(26)44-36)34-39-17-18-40-34/h1-14,19-20,29-32H,15-18H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44)/p+2
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n/an/a 2.80E+3 200n/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595281
PNG
(CHEMBL5182137)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(\F)=N\[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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n/an/a 4.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85265
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C(N)=[NH2+])c1ccccc1 |(17.55,-1.68,;16.93,-3.09,;18.07,-4.12,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-1.32,-5.66,;-2.68,-3.57,;7.76,.04,;6.43,.81,;6.43,2.35,;7.76,3.12,;9.1,2.35,;9.1,.81,)|
Show InChI InChI=1S/C32H28N8/c33-29(34)19-11-13-21-23(15-19)39-31(37-21)27-25(17-7-3-1-4-8-17)28(26(27)18-9-5-2-6-10-18)32-38-22-14-12-20(30(35)36)16-24(22)40-32/h1-16,25-28H,(H3,33,34)(H3,35,36)(H,37,39)(H,38,40)/p+2
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n/an/a 5.60E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85269
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1Cl |w:37.43,(-.11,-8.04,;-.03,-6.5,;1.35,-5.8,;-1.32,-5.66,;-1.24,-4.12,;-2.68,-3.57,;.1,-3.35,;.1,-1.81,;1.43,-1.04,;2.76,-1.81,;4.23,-1.34,;5.13,-2.58,;4.23,-3.83,;2.76,-3.35,;1.43,-4.12,;6.67,-2.58,;7.76,-3.68,;8.85,-2.58,;7.76,-1.5,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;17.55,-1.68,;16.65,-.44,;17.27,.97,;15.12,-.6,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.42,-5.22,)|
Show InChI InChI=1S/C38H38Cl2N8/c1-19(2)43-35(41)21-13-15-27-29(17-21)47-37(45-27)33-31(23-9-5-7-11-25(23)39)34(32(33)24-10-6-8-12-26(24)40)38-46-28-16-14-22(18-30(28)48-38)36(42)44-20(3)4/h5-20,31-34H,1-4H3,(H2,41,43)(H2,42,44)(H,45,47)(H,46,48)/p+2
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n/an/a 6.00E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85268
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH2+])c1ccccc1Cl |(17.55,-1.68,;16.93,-3.09,;18.07,-4.12,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-3.68,;6.67,-2.58,;7.76,-1.5,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-1.32,-5.66,;-2.68,-3.57,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.42,-5.22,)|
Show InChI InChI=1S/C32H26Cl2N8/c33-19-7-3-1-5-17(19)25-27(31-39-21-11-9-15(29(35)36)13-23(21)41-31)26(18-6-2-4-8-20(18)34)28(25)32-40-22-12-10-16(30(37)38)14-24(22)42-32/h1-14,25-28H,(H3,35,36)(H3,37,38)(H,39,41)(H,40,42)/p+2
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n/an/a 7.00E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595283
PNG
(CHEMBL5187966)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(\F)=C\[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85270
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccco1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccco1 |c:2,t:39,(19.09,-1.68,;19.48,-3.33,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.51,-6.12,;6.98,-7.59,;8.52,-7.59,;9,-6.12,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.76,-4.83,;-2.82,-6.27,;-1.32,-5.66,;7.76,.04,;8.91,1.07,;8.28,2.48,;6.75,2.32,;6.43,.81,)|
Show InChI InChI=1S/C32H28N8O2/c1-3-23(41-13-1)25-27(31-37-19-7-5-17(15-21(19)39-31)29-33-9-10-34-29)26(24-4-2-14-42-24)28(25)32-38-20-8-6-18(16-22(20)40-32)30-35-11-12-36-30/h1-8,13-16,25-28H,9-12H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)/p+2
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n/an/a 8.00E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595288
PNG
(CHEMBL5199877)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)[C@H](O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85266
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1 |w:36.42,(-.11,-8.04,;-.03,-6.5,;1.35,-5.8,;-1.32,-5.66,;-1.24,-4.12,;-2.68,-3.57,;.1,-3.35,;.1,-1.81,;1.43,-1.04,;2.76,-1.81,;4.23,-1.34,;5.13,-2.58,;4.23,-3.83,;2.76,-3.35,;1.43,-4.12,;6.67,-2.58,;7.76,-1.5,;8.85,-2.58,;7.76,-3.68,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;17.55,-1.68,;16.65,-.44,;17.27,.97,;15.12,-.6,;7.76,.04,;6.43,.81,;6.43,2.35,;7.76,3.12,;9.1,2.35,;9.1,.81,)|
Show InChI InChI=1S/C38H40N8/c1-21(2)41-35(39)25-15-17-27-29(19-25)45-37(43-27)33-31(23-11-7-5-8-12-23)34(32(33)24-13-9-6-10-14-24)38-44-28-18-16-26(20-30(28)46-38)36(40)42-22(3)4/h5-22,31-34H,1-4H3,(H2,39,41)(H2,40,42)(H,43,45)(H,44,46)/p+2
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n/an/a>1.00E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85262
PNG
(Benzimidazole derivative, 3)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc(C=Cc3ccccc3)[nH]c2c1 |w:11.11,c:2|
Show InChI InChI=1S/C18H16N4/c1-2-4-13(5-3-1)6-9-17-21-15-8-7-14(12-16(15)22-17)18-19-10-11-20-18/h1-9,12H,10-11H2,(H,19,20)(H,21,22)/p+1/b9-6+
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n/an/a 1.00E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85271
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1cccs1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1cccs1 |c:2,t:39,(19.09,-1.68,;19.48,-3.33,;18.07,-4.12,;16.93,-3.09,;17.55,-1.68,;15.42,-3.41,;14.94,-4.87,;13.44,-5.19,;12.41,-4.05,;10.87,-4.05,;10.39,-2.59,;11.64,-1.68,;12.88,-2.59,;14.39,-2.27,;8.85,-2.58,;7.76,-1.5,;6.67,-2.58,;7.76,-3.68,;7.75,-5.22,;6.51,-6.12,;6.98,-7.59,;8.52,-7.59,;9,-6.12,;5.13,-2.58,;4.23,-1.34,;2.76,-1.81,;1.43,-1.04,;.1,-1.81,;.1,-3.35,;1.43,-4.12,;2.76,-3.35,;4.23,-3.83,;-1.24,-4.12,;-2.68,-3.57,;-3.76,-4.83,;-2.82,-6.27,;-1.32,-5.66,;7.76,.04,;8.91,1.07,;8.28,2.48,;6.75,2.32,;6.43,.81,)|
Show InChI InChI=1S/C32H28N8S2/c1-3-23(41-13-1)25-27(31-37-19-7-5-17(15-21(19)39-31)29-33-9-10-34-29)26(24-4-2-14-42-24)28(25)32-38-20-8-6-18(16-22(20)40-32)30-35-11-12-36-30/h1-8,13-16,25-28H,9-12H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)/p+2
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n/an/a 1.00E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85261
PNG
(Benzimidazole derivative, 2)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)-c1c[nH]cn1 |c:2|
Show InChI InChI=1S/C13H10N6/c1-2-9-10(5-8(1)12-15-3-4-16-12)19-13(18-9)11-6-14-7-17-11/h1-2,5-7H,3-4H2,(H,15,16)/p+1/b13-11-
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n/an/a 1.80E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595284
PNG
(CHEMBL5176913)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(\F)=C\[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 2.20E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595282
PNG
(CHEMBL5191808)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(\F)=C\[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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n/an/a 2.34E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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n/an/a 2.49E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50187283
PNG
((2R,5S)-1-(2-(1-(ethoxymethyl)cyclopentylamino)ace...)
Show SMILES CCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C16H24N4O2/c1-2-22-12-16(7-3-4-8-16)19-11-15(21)20-13(9-17)5-6-14(20)10-18/h13-14,19H,2-8,11-12H2,1H3/t13-,14+
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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 3


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3 in human erythrocytes


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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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 3


(Homo sapiens (Human))
BDBM50187261
PNG
((2R,5S)-1-(2-(1-(butoxymethyl)cyclopentylamino)ace...)
Show SMILES CCCCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H28N4O2/c1-2-3-10-24-14-18(8-4-5-9-18)21-13-17(23)22-15(11-19)6-7-16(22)12-20/h15-16,21H,2-10,13-14H2,1H3/t15-,16+
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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 3


(Homo sapiens (Human))
BDBM50187268
PNG
((2S,5R)-1-[2-(adamantan-1-ylamino)-acetyl]-pyrroli...)
Show SMILES O=C(CNC12CC3CC(CC(C3)C1)C2)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:3:4:11:7.8.9,13:4:11:7.8.9,THB:13:8:5.4.12:11,9:8:5:12.10.11,9:10:5:7.13.8|
Show InChI InChI=1S/C18H24N4O/c19-9-15-1-2-16(10-20)22(15)17(23)11-21-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-16,21H,1-8,11H2/t12?,13?,14?,15-,16+,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 3


(Homo sapiens (Human))
BDBM50187275
PNG
((2R,5S)-1-(2-(1-(methoxymethyl)cyclopentylamino)ac...)
Show SMILES COCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C15H22N4O2/c1-21-11-15(6-2-3-7-15)18-10-14(20)19-12(8-16)4-5-13(19)9-17/h12-13,18H,2-7,10-11H2,1H3/t12-,13+
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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 3


(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 |TLB:6:1:9:7.5.4,0:1:9:7.5.4,4:3:10:7.5.6,4:5:10:2.9.3,THB:6:5:10.1.2:9|
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 3


(Homo sapiens (Human))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
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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 3


(Homo sapiens (Human))
BDBM50221073
PNG
((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...)
Show SMILES COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H18F3N5O/c1-29-20-3-2-11(7-25-20)18-6-19(27-10-26-18)28-8-13(17(24)9-28)12-4-15(22)16(23)5-14(12)21/h2-7,10,13,17H,8-9,24H2,1H3/t13-,17+/m1/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 DPP3


Bioorg Med Chem Lett 17: 5638-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.081
BindingDB Entry DOI: 10.7270/Q2319WRX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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PubMed
n/an/a 3.29E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 3.66E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85260
PNG
(Benzimidazole derivative, 1)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H8N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)/p+1/b11-9-
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n/an/a 5.30E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 5.40E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50187657
PNG
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)
Show SMILES Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
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n/an/a 5.64E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50595286
PNG
(CHEMBL5193133)
Show SMILES CC1C(O)C(O)c2c3C(=O)c4cccc(O)c4-c3c(O)cc2C1=O
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n/an/a 7.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116831
BindingDB Entry DOI: 10.7270/Q2183BJ4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
n/an/a 7.41E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50081950
PNG
(6-Hydroxy-2-phenyl-chromen-4-one | 6-Hydroxyflavon...)
Show SMILES Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
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PubMed
n/an/a 8.22E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 8.50E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM26660
PNG
(3,7-dihydroxy-2-phenyl-4H-chromen-4-one | 3,7-dihy...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H
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n/an/a 9.80E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM85263
PNG
(Benzimidazole derivative, 4)
Show SMILES C(=C/c1ccccc1)\c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H,(H,16,17)/b11-10+
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n/an/a>1.00E+5n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Bioorg Chem 35: 153-69 (2007)


Article DOI: 10.1016/j.bioorg.2006.11.002
BindingDB Entry DOI: 10.7270/Q2NK3CKP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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PubMed
n/an/a 1.23E+5n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 3


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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n/an/a 1.88E+5n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
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