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PubMed code 21306895

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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 4


(Homo sapiens (Human))		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337789
PNG
((S)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337785
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES CC(C)C(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23?,25?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337779
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES CC(C)C(Oc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H30F3N3O5S/c1-14(2)23(26(35)36)37-18-5-3-15(4-6-18)13-31-24(34)25-32(7-8-38-25)22(33)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25H,7-9,11,13,30H2,1-2H3,(H,31,34)(H,35,36)/t17-,23?,25?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337791
PNG
((R)-2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337793
PNG
((S)-2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337783
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES CC(C)(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H29F3N4O4S/c1-25(2,24(35)36)31-17-5-3-14(4-6-17)13-30-22(34)23-32(7-8-37-23)21(33)11-16(29)9-15-10-19(27)20(28)12-18(15)26/h3-6,10,12,16,23,31H,7-9,11,13,29H2,1-2H3,(H,30,34)(H,35,36)/t16-,23?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337788
PNG
((R)-ethyl 2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifl...)
Show SMILES CCOC(=O)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25-,27+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337790
PNG
((S)-ethyl 2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifl...)
Show SMILES CCOC(=O)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25+,27+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337778
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccc(OC(Cc2ccccc2)C(O)=O)cc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H30F3N3O5S/c31-23-16-25(33)24(32)14-20(23)13-21(34)15-27(37)36-10-11-42-29(36)28(38)35-17-19-6-8-22(9-7-19)41-26(30(39)40)12-18-4-2-1-3-5-18/h1-9,14,16,21,26,29H,10-13,15,17,34H2,(H,35,38)(H,39,40)/t21-,26?,29?/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337768
PNG
(CHEMBL1683487 | ethyl 2-(4-((3-((R)-3-amino-4-(2,4...)
Show SMILES CCOC(=O)COc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O5S/c1-2-35-23(33)14-36-18-5-3-15(4-6-18)13-30-24(34)25-31(7-8-37-25)22(32)11-17(29)9-16-10-20(27)21(28)12-19(16)26/h3-6,10,12,17,25H,2,7-9,11,13-14,29H2,1H3,(H,30,34)/t17-,25?/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337786
PNG
(CHEMBL1683505 | ethyl 2-(4-((3-((R)-3-amino-4-(2,4...)
Show SMILES CCOC(=O)C(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25?,27?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337769
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccc(OCC(O)=O)cc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H24F3N3O5S/c24-17-10-19(26)18(25)8-14(17)7-15(27)9-20(30)29-5-6-35-23(29)22(33)28-11-13-1-3-16(4-2-13)34-12-21(31)32/h1-4,8,10,15,23H,5-7,9,11-12,27H2,(H,28,33)(H,31,32)/t15-,23?/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337777
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES CC(C)(Oc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H28F3N3O5S/c1-25(2,24(34)35)36-17-5-3-14(4-6-17)13-30-22(33)23-31(7-8-37-23)21(32)11-16(29)9-15-10-19(27)20(28)12-18(15)26/h3-6,10,12,16,23H,7-9,11,13,29H2,1-2H3,(H,30,33)(H,34,35)/t16-,23?/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337775
PNG
(5-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccc2OC(Oc2c1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H22F3N3O6S/c24-14-9-16(26)15(25)7-12(14)6-13(27)8-19(30)29-3-4-36-21(29)20(31)28-10-11-1-2-17-18(5-11)35-23(34-17)22(32)33/h1-2,5,7,9,13,21,23H,3-4,6,8,10,27H2,(H,28,31)(H,32,33)/t13-,21?,23?/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337774
PNG
(CHEMBL1683493 | ethyl 5-((3-((R)-3-amino-4-(2,4,5-...)
Show SMILES CCOC(=O)C1Oc2ccc(CNC(=O)C3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)cc2O1 |r|
Show InChI InChI=1S/C25H26F3N3O6S/c1-2-35-24(34)25-36-19-4-3-13(7-20(19)37-25)12-30-22(33)23-31(5-6-38-23)21(32)10-15(29)8-14-9-17(27)18(28)11-16(14)26/h3-4,7,9,11,15,23,25H,2,5-6,8,10,12,29H2,1H3,(H,30,33)/t15-,23?,25?/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337784
PNG
(CHEMBL1683503 | ethyl 2-(4-((3-((R)-3-amino-4-(2,4...)
Show SMILES CCOC(=O)C(C)(C)Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r|
Show InChI InChI=1S/C27H33F3N4O4S/c1-4-38-26(37)27(2,3)33-19-7-5-16(6-8-19)15-32-24(36)25-34(9-10-39-25)23(35)13-18(31)11-17-12-21(29)22(30)14-20(17)28/h5-8,12,14,18,25,33H,4,9-11,13,15,31H2,1-3H3,(H,32,36)/t18-,25?/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337764
PNG
(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H22F3N3O2S/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-19(28)27-6-7-30-21(27)20(29)26-12-13-4-2-1-3-5-13/h1-5,9,11,15,21H,6-8,10,12,25H2,(H,26,29)/t15-,21?/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337780
PNG
(CHEMBL1683499 | ethyl 2-(4-((3-((R)-3-amino-4-(2,4...)
Show SMILES CCOC(=O)C(Oc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r|
Show InChI InChI=1S/C28H34F3N3O5S/c1-4-38-28(37)25(16(2)3)39-20-7-5-17(6-8-20)15-33-26(36)27-34(9-10-40-27)24(35)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27H,4,9-11,13,15,32H2,1-3H3,(H,33,36)/t19-,25?,27?/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337781
PNG
(2-((4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...)
Show SMILES CC(C)C(N(C)c1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C27H33F3N4O4S/c1-15(2)24(27(37)38)33(3)19-6-4-16(5-7-19)14-32-25(36)26-34(8-9-39-26)23(35)12-18(31)10-17-11-21(29)22(30)13-20(17)28/h4-7,11,13,15,18,24,26H,8-10,12,14,31H2,1-3H3,(H,32,36)(H,37,38)/t18-,24?,26?/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337782
PNG
(CHEMBL1683501 | ethyl 2-((4-((3-((R)-3-amino-4-(2,...)
Show SMILES CCOC(=O)C(C(C)C)N(C)c1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r|
Show InChI InChI=1S/C29H37F3N4O4S/c1-5-40-29(39)26(17(2)3)35(4)21-8-6-18(7-9-21)16-34-27(38)28-36(10-11-41-28)25(37)14-20(33)12-19-13-23(31)24(32)15-22(19)30/h6-9,13,15,17,20,26,28H,5,10-12,14,16,33H2,1-4H3,(H,34,38)/t20-,26?,28?/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337763
PNG
(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccoc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F3N3O3S/c20-14-8-16(22)15(21)6-12(14)5-13(23)7-17(26)25-2-4-29-19(25)18(27)24-9-11-1-3-28-10-11/h1,3,6,8,10,13,19H,2,4-5,7,9,23H2,(H,24,27)/t13-,19?/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337770
PNG
(CHEMBL1683489 | ethyl 2-(3-((3-((R)-3-amino-4-(2,4...)
Show SMILES CCOC(=O)COc1cccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c1 |r|
Show InChI InChI=1S/C25H28F3N3O5S/c1-2-35-23(33)14-36-18-5-3-4-15(8-18)13-30-24(34)25-31(6-7-37-25)22(32)11-17(29)9-16-10-20(27)21(28)12-19(16)26/h3-5,8,10,12,17,25H,2,6-7,9,11,13-14,29H2,1H3,(H,30,34)/t17-,25?/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337759
PNG
(CHEMBL1683479 | ethyl 2-(3-((R)-3-amino-4-(2,4,5-t...)
Show SMILES CCOC(=O)CNC(=O)C1SCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H22F3N3O4S/c1-2-28-16(26)9-23-17(27)18-24(3-4-29-18)15(25)7-11(22)5-10-6-13(20)14(21)8-12(10)19/h6,8,11,18H,2-5,7,9,22H2,1H3,(H,23,27)/t11-,18?/m1/s1
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n/an/a 101n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337771
PNG
(2-(3-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1cccc(OCC(O)=O)c1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H24F3N3O5S/c24-17-10-19(26)18(25)8-14(17)7-15(27)9-20(30)29-4-5-35-23(29)22(33)28-11-13-2-1-3-16(6-13)34-12-21(31)32/h1-3,6,8,10,15,23H,4-5,7,9,11-12,27H2,(H,28,33)(H,31,32)/t15-,23?/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337772
PNG
(CHEMBL1683491 | ethyl 6-((3-((R)-3-amino-4-(2,4,5-...)
Show SMILES CCOC(=O)C1COc2cc(CNC(=O)C3SCCN3C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)ccc2O1 |r|
Show InChI InChI=1S/C26H28F3N3O6S/c1-2-36-26(35)22-13-37-21-7-14(3-4-20(21)38-22)12-31-24(34)25-32(5-6-39-25)23(33)10-16(30)8-15-9-18(28)19(29)11-17(15)27/h3-4,7,9,11,16,22,25H,2,5-6,8,10,12-13,30H2,1H3,(H,31,34)/t16-,22?,25?/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337792
PNG
((R)-ethyl 2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifl...)
Show SMILES CCOC(=O)[C@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25-,27-/m1/s1
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n/an/a 175n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337773
PNG
(6-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccc2OC(COc2c1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O6S/c25-15-9-17(27)16(26)7-13(15)6-14(28)8-21(31)30-3-4-37-23(30)22(32)29-10-12-1-2-18-19(5-12)35-11-20(36-18)24(33)34/h1-2,5,7,9,14,20,23H,3-4,6,8,10-11,28H2,(H,29,32)(H,33,34)/t14-,20?,23?/m1/s1
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n/an/a 192n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337757
PNG
(CHEMBL1683477 | methyl 3-((R)-3-amino-4-(2,4,5-tri...)
Show SMILES COC(=O)C1SCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C15H17F3N2O3S/c1-23-15(22)14-20(2-3-24-14)13(21)6-9(19)4-8-5-11(17)12(18)7-10(8)16/h5,7,9,14H,2-4,6,19H2,1H3/t9-,14?/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337758
PNG
(2-(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCC(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H18F3N3O4S/c17-10-6-12(19)11(18)4-8(10)3-9(20)5-13(23)22-1-2-27-16(22)15(26)21-7-14(24)25/h4,6,9,16H,1-3,5,7,20H2,(H,21,26)(H,24,25)/t9-,16?/m1/s1
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n/an/a 212n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337776
PNG
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES CC(Oc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H26F3N3O5S/c1-13(24(33)34)35-17-4-2-14(3-5-17)12-29-22(32)23-30(6-7-36-23)21(31)10-16(28)8-15-9-19(26)20(27)11-18(15)25/h2-5,9,11,13,16,23H,6-8,10,12,28H2,1H3,(H,29,32)(H,33,34)/t13?,16-,23?/m1/s1
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n/an/a 216n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337767
PNG
(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H22F3N3O4S/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-19(29)28-5-6-33-21(28)20(30)27-11-12-1-3-13(4-2-12)22(31)32/h1-4,8,10,15,21H,5-7,9,11,26H2,(H,27,30)(H,31,32)/t15-,21?/m1/s1
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n/an/a 229n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337794
PNG
((S)-ethyl 2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifl...)
Show SMILES CCOC(=O)[C@@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r|
Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25+,27-/m1/s1
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n/an/a 309n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337766
PNG
(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccc(O)cc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H22F3N3O3S/c22-16-10-18(24)17(23)8-13(16)7-14(25)9-19(29)27-5-6-31-21(27)20(30)26-11-12-1-3-15(28)4-2-12/h1-4,8,10,14,21,28H,5-7,9,11,25H2,(H,26,30)/t14-,21?/m1/s1
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n/an/a 328n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337765
PNG
(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1ccncc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H21F3N4O2S/c21-15-10-17(23)16(22)8-13(15)7-14(24)9-18(28)27-5-6-30-20(27)19(29)26-11-12-1-3-25-4-2-12/h1-4,8,10,14,20H,5-7,9,11,24H2,(H,26,29)/t14-,20?/m1/s1
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n/an/a 357n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337756
PNG
(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)t...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C14H15F3N2O3S/c15-9-6-11(17)10(16)4-7(9)3-8(18)5-12(20)19-1-2-23-13(19)14(21)22/h4,6,8,13H,1-3,5,18H2,(H,21,22)/t8-,13?/m1/s1
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n/an/a 601n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337762
PNG
((3R)-3-amino-1-(2-(piperazine-1-carbonyl)thiazolid...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)N1CCNCC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H23F3N4O2S/c19-13-10-15(21)14(20)8-11(13)7-12(22)9-16(26)25-5-6-28-18(25)17(27)24-3-1-23-2-4-24/h8,10,12,18,23H,1-7,9,22H2/t12-,18?/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337761
PNG
((3R)-3-amino-1-(2-(morpholine-4-carbonyl)thiazolid...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)N1CCOCC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H22F3N3O3S/c19-13-10-15(21)14(20)8-11(13)7-12(22)9-16(25)24-3-6-28-18(24)17(26)23-1-4-27-5-2-23/h8,10,12,18H,1-7,9,22H2/t12-,18?/m1/s1
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n/an/a 807n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50337760
PNG
(3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES CN(C)C(=O)C1SCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H20F3N3O2S/c1-21(2)15(24)16-22(3-4-25-16)14(23)7-10(20)5-9-6-12(18)13(19)8-11(9)17/h6,8,10,16H,3-5,7,20H2,1-2H3/t10-,16?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP9 expressed in african green monkey COS7 cells after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP8 expressed in african green monkey COS7 cells after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of APN

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Rattus norvegicus)		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rat DPP2 expressed in african green monkey COS7 cells after 60 mins by fluorescence plate reader

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of POP in rat brain cortex

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50337787
PNG
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)
Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1
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n/an/an/an/a 4.08E+5n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Binding affinity to human ERG

Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%