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Compile Data Set for Download or QSAR

Found 4666 hits of ic50 data for polymerid = 1234,1262,1264,50001013   
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))
BDBM50221967
PNG
((2S,3S)-3-amino-2-(4'-fluoro-biphenyl-4-yl)-4-((S)...)
Show SMILES CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25F2N3O2/c1-26(2)21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h3-10,18-20H,11-13,25H2,1-2H3/t18-,19-,20-/m0/s1
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n/an/a 0.0120n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437403
PNG
(CHEMBL2408771)
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CC2CCCNC2C1
Show InChI InChI=1S/C26H32N6O3/c1-17(2)11-13-31-22-23(28-25(31)30-14-19-10-7-12-27-20(19)15-30)29(3)26(35)32(24(22)34)16-21(33)18-8-5-4-6-9-18/h4-6,8-9,11,19-20,27H,7,10,12-16H2,1-3H3
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n/an/a 0.0500n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205995
PNG
(US9255098, Ex. 1 | US9255098, Ex. 4)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(F)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H24FN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/m1/s1
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US Patent
n/an/a 0.0500n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221977
PNG
((2S,3S)-2-amino-3-(4'-fluoro-biphenyl-4-yl)-1-((S)...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2O/c1-13(19(23)20(25)24-11-10-18(22)12-24)14-2-4-15(5-3-14)16-6-8-17(21)9-7-16/h2-9,13,18-19H,10-12,23H2,1H3/t13-,18-,19-/m0/s1
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n/an/a 0.0640n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205995
PNG
(US9255098, Ex. 1 | US9255098, Ex. 4)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(F)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H24FN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/m1/s1
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n/an/a 0.0800n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay


ACS Med Chem Lett 7: 498-501 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00027
BindingDB Entry DOI: 10.7270/Q2CN75SM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11593
PNG
(5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)
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n/an/a 0.100n/an/an/an/an/an/a



Graduate University of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6630-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.093
BindingDB Entry DOI: 10.7270/Q2DN45GR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system


Bioorg Med Chem Lett 22: 1464-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.054
BindingDB Entry DOI: 10.7270/Q2SF2WN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205996
PNG
(US9255098, Ex. 2 | US9255098, Ex. 5)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4s3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H25N7O2S/c1-3-4-12-29-19-20(26-22(29)28-11-7-8-15(24)13-28)27(2)23(32)30(21(19)31)14-18-25-16-9-5-6-10-17(16)33-18/h5-6,9-10,15H,7-8,11-14,24H2,1-2H3/t15-/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50151798
PNG
(CHEMBL186877 | [6-(2,4-Dichloro-phenyl)-2-(3,5-dim...)
Show SMILES COc1cc(OC)cc(c1)-c1nc(N(C)C)c(CN(C)C)c(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c1-28(2)13-19-21(18-8-7-15(24)11-20(18)25)26-22(27-23(19)29(3)4)14-9-16(30-5)12-17(10-14)31-6/h7-12H,13H2,1-6H3
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4759-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.099
BindingDB Entry DOI: 10.7270/Q2XK8F1Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11593
PNG
(5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)
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n/an/a 0.100n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50170939
PNG
(CHEMBL3806052)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3nccnc3c2C1
Show InChI InChI=1S/C18H18F2N6O/c19-10-1-2-14(20)12(5-10)17-15(21)6-11(9-27-17)25-7-13-16(8-25)24-26-18(13)22-3-4-23-26/h1-5,11,15,17H,6-9,21H2/t11-,15+,17-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166319
PNG
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166318
PNG
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166319
PNG
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166318
PNG
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50170919
PNG
(CHEMBL3805966)
Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N5/c1-11-4-21-26-8-12-9-28(10-20(12)29(21)27-11)13-2-3-14(19(25)5-13)15-6-17(23)18(24)7-16(15)22/h4,6-8,13-14,19H,2-3,5,9-10,25H2,1H3/t13-,14+,19-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166318
PNG
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166318
PNG
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205996
PNG
(US9255098, Ex. 2 | US9255098, Ex. 5)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4s3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H25N7O2S/c1-3-4-12-29-19-20(26-22(29)28-11-7-8-15(24)13-28)27(2)23(32)30(21(19)31)14-18-25-16-9-5-6-10-17(16)33-18/h5-6,9-10,15H,7-8,11-14,24H2,1-2H3/t15-/m1/s1
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US Patent
n/an/a 0.150n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166319
PNG
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166319
PNG
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166308
PNG
((S)-1-[(2S,4S)-4-(4-Nitro-phenylamino)-pyrrolidine...)
Show SMILES [O-][N+](=O)c1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C16H19N5O3/c17-9-14-2-1-7-20(14)16(22)15-8-12(10-18-15)19-11-3-5-13(6-4-11)21(23)24/h3-6,12,14-15,18-19H,1-2,7-8,10H2/t12-,14-,15-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM136294
PNG
(US8853212, DDP-4 Inhibitor 10)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2n[nH]c(C(N)=O)c2C1
Show InChI InChI=1S/C17H19F2N5OS/c18-8-1-2-12(19)10(3-8)16-13(20)4-9(7-26-16)24-5-11-14(6-24)22-23-15(11)17(21)25/h1-3,9,13,16H,4-7,20H2,(H2,21,25)(H,22,23)/t9-,13+,16?/m1/s1
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n/an/a 0.170n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


US Patent US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50391561
PNG
(CHEMBL2147704)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166308
PNG
((S)-1-[(2S,4S)-4-(4-Nitro-phenylamino)-pyrrolidine...)
Show SMILES [O-][N+](=O)c1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C16H19N5O3/c17-9-14-2-1-7-20(14)16(22)15-8-12(10-18-15)19-11-3-5-13(6-4-11)21(23)24/h3-6,12,14-15,18-19H,1-2,7-8,10H2/t12-,14-,15-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50371255
PNG
(CHEMBL1203953)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


J Med Chem 51: 589-602 (2008)


Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166320
PNG
((S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H19N5O/c18-9-12-3-5-13(6-4-12)21-14-8-16(20-11-14)17(23)22-7-1-2-15(22)10-19/h3-6,14-16,20-21H,1-2,7-8,11H2/t14-,15-,16-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50391559
PNG
(CHEMBL2147703)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391561
PNG
(CHEMBL2147704)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM205997
PNG
(US9255098, Ex. 3)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(Cl)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H24ClN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/m1/s1
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US Patent
n/an/a 0.200n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11589
PNG
(1c-para-F | 5-(aminomethyl)-6-(2,4-dichlorophenyl)...)
Show SMILES NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C17H13Cl2FN4/c18-10-3-6-12(14(19)7-10)15-13(8-21)16(22)24-17(23-15)9-1-4-11(20)5-2-9/h1-7H,8,21H2,(H2,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11588
PNG
(1c-meta-F | 5-(aminomethyl)-6-(2,4-dichlorophenyl)...)
Show SMILES NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(F)c1
Show InChI InChI=1S/C17H13Cl2FN4/c18-10-4-5-12(14(19)7-10)15-13(8-21)16(22)24-17(23-15)9-2-1-3-11(20)6-9/h1-7H,8,21H2,(H2,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50374938
PNG
(CHEMBL402163)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H](N)C(F)=C2CCCC2)c(Cl)c1
Show InChI InChI=1S/C21H25ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h8-9,11-12,16,19H,2-7,10,24H2,1H3/t16-,19-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50170922
PNG
(CHEMBL3805629)
Show SMILES Cc1nc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F3N6/c1-10-26-20-25-7-11-8-28(9-19(11)29(20)27-10)12-2-3-13(18(24)4-12)14-5-16(22)17(23)6-15(14)21/h5-7,12-13,18H,2-4,8-9,24H2,1H3/t12-,13+,18-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166309
PNG
((S)-1-[(2S,4S)-4-(3,4-Dimethoxy-phenylamino)-pyrro...)
Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C18H24N4O3/c1-24-16-6-5-12(9-17(16)25-2)21-13-8-15(20-11-13)18(23)22-7-3-4-14(22)10-19/h5-6,9,13-15,20-21H,3-4,7-8,11H2,1-2H3/t13-,14-,15-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50170923
PNG
(CHEMBL3806041)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nnc(C4CC4)n3c2C1
Show InChI InChI=1S/C22H23F3N6/c23-16-7-18(25)17(24)6-15(16)14-4-3-13(5-19(14)26)30-9-12-8-27-22-29-28-21(11-1-2-11)31(22)20(12)10-30/h6-8,11,13-14,19H,1-5,9-10,26H2/t13-,14+,19-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166315
PNG
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,14-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166315
PNG
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,14-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391559
PNG
(CHEMBL2147703)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166320
PNG
((S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H19N5O/c18-9-12-3-5-13(6-4-12)21-14-8-16(20-11-14)17(23)22-7-1-2-15(22)10-19/h3-6,14-16,20-21H,1-2,7-8,11H2/t14-,15-,16-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050525
PNG
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1
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US Patent
n/an/a 0.260n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166315
PNG
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,14-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437403
PNG
(CHEMBL2408771)
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CC2CCCNC2C1
Show InChI InChI=1S/C26H32N6O3/c1-17(2)11-13-31-22-23(28-25(31)30-14-19-10-7-12-27-20(19)15-30)29(3)26(35)32(24(22)34)16-21(33)18-8-5-4-6-9-18/h4-6,8-9,11,19-20,27H,7,10,12-16H2,1-3H3
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n/an/a 0.270n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50166317
PNG
((S)-1-[(2S,4S)-4-(4-Methoxy-phenylamino)-pyrrolidi...)
Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C17H22N4O2/c1-23-15-6-4-12(5-7-15)20-13-9-16(19-11-13)17(22)21-8-2-3-14(21)10-18/h4-7,13-14,16,19-20H,2-3,8-9,11H2,1H3/t13-,14-,16-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50166309
PNG
((S)-1-[(2S,4S)-4-(3,4-Dimethoxy-phenylamino)-pyrro...)
Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C18H24N4O3/c1-24-16-6-5-12(9-17(16)25-2)21-13-8-15(20-11-13)18(23)22-7-3-4-14(22)10-19/h5-6,9,13-15,20-21H,3-4,7-8,11H2,1-2H3/t13-,14-,15-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human dipeptidyl-peptidase IV


Bioorg Med Chem Lett 15: 2441-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.077
BindingDB Entry DOI: 10.7270/Q27P8XWJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM13528
PNG
((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...)
Show SMILES N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cn1cccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H22F3N5O2/c20-14-10-16(22)15(21)8-12(14)7-13(23)9-18(28)27-6-1-3-24-19(29)17(27)11-26-5-2-4-25-26/h2,4-5,8,10,13,17H,1,3,6-7,9,11,23H2,(H,24,29)/t13-,17-/m1/s1
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n/an/a 0.290n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 17: 49-52 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.099
BindingDB Entry DOI: 10.7270/Q2F47MC2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50391565
PNG
(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50389480
PNG
(CHEMBL2063040)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O
Show InChI InChI=1S/C10H22BN5O4/c12-7(2-1-3-15-10(13)14)9(18)16-5-6(17)4-8(16)11(19)20/h6-8,17,19-20H,1-5,12H2,(H4,13,14,15)/t6-,7-,8-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to add...


Bioorg Med Chem Lett 22: 5536-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.033
BindingDB Entry DOI: 10.7270/Q2M909QF
More data for this
Ligand-Target Pair
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