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Compile Data Set for Download or QSAR

Found 105 hits from Dong-A Pharm. Co., Ltd   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM198005
PNG
(US9221790, 15)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1
Show InChI InChI=1/C23H27ClN4O2/c1-30-22-11-20(25)19(24)10-18(22)23(29)28-12-14-6-7-26-16(8-14)9-15-13-27-21-5-3-2-4-17(15)21/h2-5,10-11,13-14,16,26-27H,6-9,12,25H2,1H3,(H,28,29)
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US Patent
n/an/a 0.00200n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197995
PNG
(US9221790, 5)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C27H35ClN4O2/c1-34-26-18-24(29)23(28)17-22(26)27(33)30-19-20-9-14-31(15-10-20)12-5-2-6-13-32-16-11-21-7-3-4-8-25(21)32/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15,19,29H2,1H3,(H,30,33)
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n/an/a 0.00500n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197993
PNG
(US9221790, 3)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)
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n/an/a 0.0390n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197997
PNG
(US9221790, 7)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1
Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)
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n/an/a 0.0670n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM198000
PNG
(US9221790, 10)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1
Show InChI InChI=1S/C24H29ClN4O2/c1-28-14-17(18-5-3-4-6-22(18)28)15-29-9-7-16(8-10-29)13-27-24(30)19-11-20(25)21(26)12-23(19)31-2/h3-6,11-12,14,16H,7-10,13,15,26H2,1-2H3,(H,27,30)
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n/an/a 0.0760n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197996
PNG
(US9221790, 6)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccnn2)CC1
Show InChI InChI=1S/C21H31ClN6O2/c1-30-20-14-19(23)18(22)13-17(20)21(29)24-15-16-5-10-27(11-6-16)8-3-2-4-9-28-12-7-25-26-28/h7,12-14,16H,2-6,8-11,15,23H2,1H3,(H,24,29)
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n/an/a 0.103n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM198003
PNG
(US9221790, 13)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25ClFN3O2/c1-28-20-11-19(24)18(22)10-17(20)21(27)25-12-14-6-8-26(9-7-14)13-15-2-4-16(23)5-3-15/h2-5,10-11,14H,6-9,12-13,24H2,1H3,(H,25,27)
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n/an/a 0.134n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197992
PNG
(US9221790, 2)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
Show InChI InChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27)
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n/an/a 0.164n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197998
PNG
(US9221790, 8)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2nccn2)CC1
Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-9-25(10-4-14)7-2-8-26-23-5-6-24-26/h5-6,11-12,14H,2-4,7-10,13,21H2,1H3,(H,22,27)
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n/an/a 0.182n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197991
PNG
(US9221790, 1)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cncn2)CC1
Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-10-17(21)16(20)9-15(18)19(27)23-11-14-3-7-25(8-4-14)5-2-6-26-13-22-12-24-26/h9-10,12-14H,2-8,11,21H2,1H3,(H,23,27)
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US Patent
n/an/a 0.226n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197994
PNG
(US9221790, 4)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1
Show InChI InChI=1S/C21H30ClN5O2/c1-15-24-6-11-27(15)8-3-7-26-9-4-16(5-10-26)14-25-21(28)17-12-18(22)19(23)13-20(17)29-2/h6,11-13,16H,3-5,7-10,14,23H2,1-2H3,(H,25,28)
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n/an/a 0.229n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM197999
PNG
(US9221790, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26)
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n/an/a 0.267n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 0.362n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM198004
PNG
(US9221790, 14)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(O)cc2)CC1
Show InChI InChI=1S/C21H26ClN3O3/c1-28-20-11-19(23)18(22)10-17(20)21(27)24-12-14-6-8-25(9-7-14)13-15-2-4-16(26)5-3-15/h2-5,10-11,14,26H,6-9,12-13,23H2,1H3,(H,24,27)
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n/an/a 0.375n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM198002
PNG
(US9221790, 12)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1
Show InChI InChI=1S/C20H27ClN4O2/c1-24-7-3-4-15(24)13-25-8-5-14(6-9-25)12-23-20(26)16-10-17(21)18(22)11-19(16)27-2/h3-4,7,10-11,14H,5-6,8-9,12-13,22H2,1-2H3,(H,23,26)
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n/an/a 0.421n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM198001
PNG
(US9221790, 11)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25)
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n/an/a 0.454n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344779
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/s2
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n/an/a 0.900n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344783
PNG
((S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CC(C)(C)SC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C19H26F3N3O2S/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/s2
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n/an/a 1.30n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344777
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1COC1CCCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C20H26F3N3O3/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(27)26-6-5-25-20(28)18(26)11-29-14-3-1-2-4-14/h8,10,13-14,18H,1-7,9,11,24H2,(H,25,28)/t13-,18-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344778
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CC(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C18H24F3N3O3/c1-10(2)27-9-16-18(26)23-3-4-24(16)17(25)7-12(22)5-11-6-14(20)15(21)8-13(11)19/h6,8,10,12,16H,3-5,7,9,22H2,1-2H3,(H,23,26)/t12-,16-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344776
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CCOC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C17H22F3N3O3/c1-2-26-9-15-17(25)22-3-4-23(15)16(24)7-11(21)5-10-6-13(19)14(20)8-12(10)18/h6,8,11,15H,2-5,7,9,21H2,1H3,(H,22,25)/t11-,15-/s2
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n/an/a 4.30n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344782
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CN1CCOCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C19H25F3N4O3/c20-14-10-16(22)15(21)8-12(14)7-13(23)9-18(27)26-2-1-24-19(28)17(26)11-25-3-5-29-6-4-25/h8,10,13,17H,1-7,9,11,23H2,(H,24,28)/t13-,17-/s2
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n/an/a 5.20n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344775
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES COC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C16H20F3N3O3/c1-25-8-14-16(24)21-2-3-22(14)15(23)6-10(20)4-9-5-12(18)13(19)7-11(9)17/h5,7,10,14H,2-4,6,8,20H2,1H3,(H,21,24)/t10-,14-/s2
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n/an/a 7.40n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344788
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES COc1cc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c(cc1OC)[N+]([O-])=O
Show InChI InChI=1/C23H25F3N4O6/c1-35-20-7-14(19(30(33)34)10-21(20)36-2)11-28-3-4-29(12-23(28)32)22(31)8-15(27)5-13-6-17(25)18(26)9-16(13)24/h6-7,9-10,15H,3-5,8,11-12,27H2,1-2H3/t15-/s2
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n/an/a 7.40n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344781
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CCN(CC)C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C19H27F3N4O2/c1-3-25(4-2)11-17-19(28)24-5-6-26(17)18(27)9-13(23)7-12-8-15(21)16(22)10-14(12)20/h8,10,13,17H,3-7,9,11,23H2,1-2H3,(H,24,28)/t13-,17-/s2
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n/an/a 11n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344774
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CO)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C15H18F3N3O3/c16-10-6-12(18)11(17)4-8(10)3-9(19)5-14(23)21-2-1-20-15(24)13(21)7-22/h4,6,9,13,22H,1-3,5,7,19H2,(H,20,24)/t9-,13-/s2
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n/an/a 12n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344769
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F3N4O4/c22-16-10-18(24)17(23)8-14(16)7-15(25)9-20(29)27-6-5-26(21(30)12-27)11-13-3-1-2-4-19(13)28(31)32/h1-4,8,10,15H,5-7,9,11-12,25H2/t15-/s2
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n/an/a 13.7n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344780
PNG
((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CCN(C)C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C18H25F3N4O2/c1-3-24(2)10-16-18(27)23-4-5-25(16)17(26)8-12(22)6-11-7-14(20)15(21)9-13(11)19/h7,9,12,16H,3-6,8,10,22H2,1-2H3,(H,23,27)/t12-,16-/s2
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n/an/a 17n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390170
PNG
(CHEMBL2069848)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc2ccccc2n1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C24H23F3N4O2/c25-18-14-20(27)19(26)12-16(18)11-17(28)13-23(32)30-7-9-31(10-8-30)24(33)22-6-5-15-3-1-2-4-21(15)29-22/h1-6,12,14,17H,7-11,13,28H2/t17-/s2
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n/an/a 24.9n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344786
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21ClF3N3O2/c22-15-3-1-2-13(6-15)11-27-4-5-28(12-21(27)30)20(29)9-16(26)7-14-8-18(24)19(25)10-17(14)23/h1-3,6,8,10,16H,4-5,7,9,11-12,26H2/t16-/s2
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n/an/a 26.7n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344787
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2Cl)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21ClF3N3O2/c22-16-4-2-1-3-13(16)11-27-5-6-28(12-21(27)30)20(29)9-15(26)7-14-8-18(24)19(25)10-17(14)23/h1-4,8,10,15H,5-7,9,11-12,26H2/t15-/s2
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n/an/a 29n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390184
PNG
(CHEMBL2069858)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cccc(n1)-c1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C26H24F4N4O2/c27-18-6-4-16(5-7-18)23-2-1-3-24(32-23)26(36)34-10-8-33(9-11-34)25(35)14-19(31)12-17-13-21(29)22(30)15-20(17)28/h1-7,13,15,19H,8-12,14,31H2/t19-/s2
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n/an/a 30.5n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344785
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(I)cc2)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F3IN3O2/c22-17-10-19(24)18(23)8-14(17)7-16(26)9-20(29)28-6-5-27(21(30)12-28)11-13-1-3-15(25)4-2-13/h1-4,8,10,16H,5-7,9,11-12,26H2/t16-/s2
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n/an/a 30.8n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390175
PNG
(CHEMBL2069853)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc(O)c2cccc(O)c2n1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C24H23F3N4O4/c25-16-11-18(27)17(26)9-13(16)8-14(28)10-22(34)30-4-6-31(7-5-30)24(35)19-12-21(33)15-2-1-3-20(32)23(15)29-19/h1-3,9,11-12,14,32H,4-8,10,28H2,(H,29,33)/t14-/s2
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n/an/a 31.2n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344784
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F4N3O2/c22-15-3-1-13(2-4-15)11-27-5-6-28(12-21(27)30)20(29)9-16(26)7-14-8-18(24)19(25)10-17(14)23/h1-4,8,10,16H,5-7,9,11-12,26H2/t16-/s2
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n/an/a 33.8n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390177
PNG
(CHEMBL2069855)
Show SMILES Cn1c(cc2ccccc12)C(=O)N1CCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C24H25F3N4O2/c1-29-21-5-3-2-4-15(21)12-22(29)24(33)31-8-6-30(7-9-31)23(32)13-17(28)10-16-11-19(26)20(27)14-18(16)25/h2-5,11-12,14,17H,6-10,13,28H2,1H3/t17-/s2
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n/an/a 33.9n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344773
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1/C22H24F3N3O3/c1-31-17-4-2-14(3-5-17)12-27-6-7-28(13-22(27)30)21(29)10-16(26)8-15-9-19(24)20(25)11-18(15)23/h2-5,9,11,16H,6-8,10,12-13,26H2,1H3/t16-/s2
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n/an/a 33.9n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390179
PNG
(CHEMBL2069308)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc2cccnc2n1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C23H22F3N5O2/c24-17-13-19(26)18(25)11-15(17)10-16(27)12-21(32)30-6-8-31(9-7-30)23(33)20-4-3-14-2-1-5-28-22(14)29-20/h1-5,11,13,16H,6-10,12,27H2/t16-/s2
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n/an/a 36.7n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344768
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F3N4O4/c22-17-10-19(24)18(23)8-14(17)7-15(25)9-20(29)27-6-5-26(21(30)12-27)11-13-1-3-16(4-2-13)28(31)32/h1-4,8,10,15H,5-7,9,11-12,25H2/t15-/s2
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n/an/a 38.5n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344772
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES CCc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1/C23H26F3N3O2/c1-2-15-3-5-16(6-4-15)13-28-7-8-29(14-23(28)31)22(30)11-18(27)9-17-10-20(25)21(26)12-19(17)24/h3-6,10,12,18H,2,7-9,11,13-14,27H2,1H3/t18-/s2
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n/an/a 38.9n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390187
PNG
(CHEMBL2069840)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(O)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H22F3N3O3/c22-17-12-19(24)18(23)10-14(17)9-15(25)11-20(29)26-5-7-27(8-6-26)21(30)13-1-3-16(28)4-2-13/h1-4,10,12,15,28H,5-9,11,25H2/t15-/s2
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n/an/a 39n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390180
PNG
(CHEMBL2069857)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc(Cl)ccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C20H20ClF3N4O2/c21-13-1-2-26-18(9-13)20(30)28-5-3-27(4-6-28)19(29)10-14(25)7-12-8-16(23)17(24)11-15(12)22/h1-2,8-9,11,14H,3-7,10,25H2/t14-/s2
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n/an/a 42.2n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344765
PNG
((R)-1-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-(...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cn2nnc3ccccc23)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F3N6O2/c22-15-10-17(24)16(23)8-13(15)7-14(25)9-20(31)28-5-6-29(21(32)11-28)12-30-19-4-2-1-3-18(19)26-27-30/h1-4,8,10,14H,5-7,9,11-12,25H2/t14-/s2
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n/an/a 42.7n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344764
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccc(cc2)-c2ccccc2)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C27H26F3N3O2/c28-23-15-25(30)24(29)13-21(23)12-22(31)14-26(34)33-11-10-32(27(35)17-33)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,13,15,22H,10-12,14,16-17,31H2/t22-/s2
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n/an/a 44.8n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390165
PNG
(CHEMBL2069843)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H23F3N4O4S/c22-17-12-19(24)18(23)10-14(17)9-15(25)11-20(29)27-5-7-28(8-6-27)21(30)13-1-3-16(4-2-13)33(26,31)32/h1-4,10,12,15H,5-9,11,25H2,(H2,26,31,32)/t15-/s2
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n/an/a 45.3n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390186
PNG
(CHEMBL2069839)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F4N3O2/c22-15-3-1-13(2-4-15)21(30)28-7-5-27(6-8-28)20(29)11-16(26)9-14-10-18(24)19(25)12-17(14)23/h1-4,10,12,16H,5-9,11,26H2/t16-/s2
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n/an/a 45.3n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390168
PNG
(CHEMBL2069846)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C26H32F3N5O2/c1-31-6-8-32(9-7-31)21-4-2-18(3-5-21)26(36)34-12-10-33(11-13-34)25(35)16-20(30)14-19-15-23(28)24(29)17-22(19)27/h2-5,15,17,20H,6-14,16,30H2,1H3/t20-/s2
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n/an/a 47.7n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50344770
PNG
((R)-2-((4-(3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2C#N)C(=O)C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C22H21F3N4O2/c23-18-10-20(25)19(24)8-16(18)7-17(27)9-21(30)29-6-5-28(22(31)13-29)12-15-4-2-1-3-14(15)11-26/h1-4,8,10,17H,5-7,9,12-13,27H2/t17-/s2
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n/an/a 48.9n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay


Bioorg Med Chem Lett 21: 3809-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.029
BindingDB Entry DOI: 10.7270/Q2XS5VQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390193
PNG
(CHEMBL2069834)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)c1ccccc1C#N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C21H21F3N4O/c22-17-12-19(24)18(23)10-15(17)9-16(26)11-21(29)28-7-5-27(6-8-28)20-4-2-1-3-14(20)13-25/h1-4,10,12,16H,5-9,11,26H2/t16-/s2
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n/an/a 50.4n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50390176
PNG
(CHEMBL2069854)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cc2ccccc2s1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C23H22F3N3O2S/c24-17-13-19(26)18(25)10-15(17)9-16(27)12-22(30)28-5-7-29(8-6-28)23(31)21-11-14-3-1-2-4-20(14)32-21/h1-4,10-11,13,16H,5-9,12,27H2/t16-/s2
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n/an/a 50.6n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay


Bioorg Med Chem Lett 22: 5545-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.019
BindingDB Entry DOI: 10.7270/Q2K64K49
More data for this
Ligand-Target Pair
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