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Compile Data Set for Download or QSAR

Found 43 hits of ic50 for UniProtKB: P28843   
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


(Mus musculus)		BDBM468963
PNG
(1-[1-[(3R,5S,6R)-5-Amino-6-(2,5-difluorophenyl)tet...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1cc(cn1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C26H25Cl2F2N5O4/c27-15-5-14(6-16(28)7-15)10-32-24(36)26(38)3-4-34(25(26)37)19-11-33-35(12-19)18-9-22(31)23(39-13-18)20-8-17(29)1-2-21(20)30/h1-2,5-8,11-12,18,22-23,38H,3-4,9-10,13,31H2,(H,32,36)/t18-,22+,23-,26?/m1/s1
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n/an/a 0.474n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468964
PNG
(1-[1-[(3R,5S,6R)-5-Amino-6-(2,5-difluorophenyl)tet...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1cc(cn1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2F)C1=O |r|
Show InChI InChI=1S/C26H24Cl2F3N5O4/c27-14-5-13(22(31)19(28)6-14)9-33-24(37)26(39)3-4-35(25(26)38)17-10-34-36(11-17)16-8-21(32)23(40-12-16)18-7-15(29)1-2-20(18)30/h1-2,5-7,10-11,16,21,23,39H,3-4,8-9,12,32H2,(H,33,37)/t16-,21+,23-,26?/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468972
PNG
((3S)-1-[2-[(3R,5S,6R)-5-Amino-6-(2,5-difluoropheny...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C25H24ClF3N6O4/c26-14-5-13(6-16(28)7-14)10-31-23(36)25(38)3-4-34(24(25)37)21-11-32-35(33-21)17-9-20(30)22(39-12-17)18-8-15(27)1-2-19(18)29/h1-2,5-8,11,17,20,22,38H,3-4,9-10,12,30H2,(H,31,36)/t17-,20+,22-,25+/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509436
PNG
(CHEMBL4463027)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCC(=O)NCCS(O)(=O)=O)cc2s1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C26H29F3N4O8S3.C2HF3O2/c27-18-13-20(29)19(28)10-15(18)9-16(30)11-23(34)33-26(3-6-43(36,37)7-4-26)25-32-21-2-1-17(12-22(21)42-25)41-14-24(35)31-5-8-44(38,39)40;3-2(4,5)1(6)7/h1-2,10,12-13,16H,3-9,11,14,30H2,(H,31,35)(H,33,34)(H,38,39,40);(H,6,7)/t16-;/m1./s1
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University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509435
PNG
(CHEMBL4593371)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+](C)(C)CCNC(=O)COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H36F3N5O5S2.2C2HF3O2/c1-37(2,3)9-8-34-27(39)17-42-20-4-5-24-25(15-20)43-28(35-24)29(6-10-44(40,41)11-7-29)36-26(38)14-19(33)12-18-13-22(31)23(32)16-21(18)30;2*3-2(4,5)1(6)7/h4-5,13,15-16,19H,6-12,14,17,33H2,1-3H3,(H-,34,36,38,39);2*(H,6,7)/t19-;;/m1../s1
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University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468975
PNG
(1-[2-[(3R,5S,6R)-5-Amino-6- (2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2F)C1=O |r|
Show InChI InChI=1S/C25H23Cl2F3N6O4/c26-13-5-12(21(30)17(27)6-13)9-32-23(37)25(39)3-4-35(24(25)38)20-10-33-36(34-20)15-8-19(31)22(40-11-15)16-7-14(28)1-2-18(16)29/h1-2,5-7,10,15,19,22,39H,3-4,8-9,11,31H2,(H,32,37)/t15-,19+,22-,25?/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468974
PNG
(1-[2-[(3R,5S,6R)-5-Amino-6- (2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|
Show InChI InChI=1S/C25H23F5N6O4/c26-13-1-2-17(28)16(6-13)22-19(31)8-15(11-40-22)36-33-10-20(34-36)35-4-3-25(39,24(35)38)23(37)32-9-12-5-14(27)7-18(29)21(12)30/h1-2,5-7,10,15,19,22,39H,3-4,8-9,11,31H2,(H,32,37)/t15-,19+,22-,25?/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509441
PNG
(CHEMBL4452661)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCC(=O)NCCS(O)(=O)=O)cc2s1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H37F3N4O8S3.C2HF3O2/c31-22-18-24(33)23(32)15-19(22)14-20(34)16-28(39)37-30(7-11-47(40,41)12-8-30)29-36-25-6-5-21(17-26(25)46-29)45-10-3-1-2-4-27(38)35-9-13-48(42,43)44;3-2(4,5)1(6)7/h5-6,15,17-18,20H,1-4,7-14,16,34H2,(H,35,38)(H,37,39)(H,42,43,44);(H,6,7)/t20-;/m1./s1
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University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468977
PNG
(1-[2-[(3R,5S,6R)-5-Aamino- 6-(2,5- difluorophenyl)...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2F)C1=O |r|
Show InChI InChI=1S/C26H24Cl2F3N5O4/c27-14-7-13(22(31)18(28)8-14)11-33-24(37)26(39)4-6-35(25(26)38)21-3-5-36(34-21)16-10-20(32)23(40-12-16)17-9-15(29)1-2-19(17)30/h1-3,5,7-9,16,20,23,39H,4,6,10-12,32H2,(H,33,37)/t16-,20+,23-,26?/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509440
PNG
(CHEMBL4533178)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCC(=O)NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc2s1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H37F3N4O10S2.C2HF3O2/c31-18-11-20(33)19(32)8-15(18)7-16(34)9-25(41)37-30(3-5-49(45,46)6-4-30)29-36-21-2-1-17(10-24(21)48-29)47-14-26(42)35-12-22(39)27(43)28(44)23(40)13-38;3-2(4,5)1(6)7/h1-2,8,10-11,16,22-23,27-28,38-40,43-44H,3-7,9,12-14,34H2,(H,35,42)(H,37,41);(H,6,7)/t16-,22+,23-,27-,28+;/m1./s1
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University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50276520
PNG
((2R,4R)-4-fluoro-1-(2-(4-methyl-1-(methylsulfonyl)...)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@H](F)C[C@@H]1C#N |r|
Show InChI InChI=1S/C14H23FN4O3S/c1-14(3-5-18(6-4-14)23(2,21)22)17-9-13(20)19-10-11(15)7-12(19)8-16/h11-12,17H,3-7,9-10H2,1-2H3/t11-,12-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse 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


(Mus musculus)		BDBM468976
PNG
((3S)-1-[1-[(3R,5S,6R)-5-Amino-6-(2,5-difluoropheny...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C26H25ClF3N5O4/c27-15-7-14(8-17(29)9-15)12-32-24(36)26(38)4-6-34(25(26)37)22-3-5-35(33-22)18-11-21(31)23(39-13-18)19-10-16(28)1-2-20(19)30/h1-3,5,7-10,18,21,23,38H,4,6,11-13,31H2,(H,32,36)/t18-,21+,23-,26+/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509434
PNG
(CHEMBL4443285)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+](C)(C)CCNC(=O)CCCCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C33H44F3N5O5S2.2C2HF3O2/c1-41(2,3)13-12-38-30(42)7-5-4-6-14-46-24-8-9-28-29(20-24)47-32(39-28)33(10-15-48(44,45)16-11-33)40-31(43)19-23(37)17-22-18-26(35)27(36)21-25(22)34;2*3-2(4,5)1(6)7/h8-9,18,20-21,23H,4-7,10-17,19,37H2,1-3H3,(H-,38,40,42,43);2*(H,6,7)/t23-;;/m1../s1
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University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509433
PNG
(CHEMBL4532312)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCC(=O)NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc2s1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C34H45F3N4O10S2.C2HF3O2/c35-22-16-24(37)23(36)13-19(22)12-20(38)14-30(46)41-34(7-10-53(49,50)11-8-34)33-40-25-6-5-21(15-28(25)52-33)51-9-3-1-2-4-29(45)39-17-26(43)31(47)32(48)27(44)18-42;3-2(4,5)1(6)7/h5-6,13,15-16,20,26-27,31-32,42-44,47-48H,1-4,7-12,14,17-18,38H2,(H,39,45)(H,41,46);(H,6,7)/t20-,26+,27-,31-,32+;/m1./s1
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University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468973
PNG
(1-[2-[(3R,5S,6R)-5-Amino-6- (2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C25H24F4N6O4/c26-14-4-5-17(27)16(8-14)22-19(30)9-15(12-39-22)35-32-11-20(33-35)34-7-6-25(38,24(34)37)23(36)31-10-13-2-1-3-18(28)21(13)29/h1-5,8,11,15,19,22,38H,6-7,9-10,12,30H2,(H,31,36)/t15-,19+,22-,25?/m1/s1
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Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468958
PNG
(1-[2-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H30F4N4O4/c32-20-5-7-24(33)23(11-20)28-26(36)12-22(16-43-28)38-14-18-4-6-21(10-19(18)15-38)39-9-8-31(42,30(39)41)29(40)37-13-17-2-1-3-25(34)27(17)35/h1-7,10-11,22,26,28,42H,8-9,12-16,36H2,(H,37,40)/t22-,26+,28-,31?/m1/s1
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n/an/a 6.46n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468957
PNG
(1-[2-[(3R,5S,6R)-5-Amino-6-(2,5-difluorophenyl)tet...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H29F5N4O4/c32-19-2-4-24(34)23(9-19)28-26(37)11-22(15-44-28)39-13-16-1-3-21(8-18(16)14-39)40-6-5-31(43,30(40)42)29(41)38-12-17-7-20(33)10-25(35)27(17)36/h1-4,7-10,22,26,28,43H,5-6,11-15,37H2,(H,38,41)/t22-,26+,28-,31?/m1/s1
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n/an/a 6.53n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468979
PNG
(1-[1-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2)C1=O |r|
Show InChI InChI=1S/C26H25F4N5O4/c27-15-1-2-20(30)19(10-15)23-21(31)11-18(13-39-23)35-5-3-22(33-35)34-6-4-26(38,25(34)37)24(36)32-12-14-7-16(28)9-17(29)8-14/h1-3,5,7-10,18,21,23,38H,4,6,11-13,31H2,(H,32,36)/t18-,21+,23-,26?/m1/s1
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n/an/a 7.73n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50210527
PNG
((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydroimida...)
Show SMILES N[C@H]1C[C@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)ncc2C(F)(F)F |w:6.7|
Show InChI InChI=1S/C19H20F6N4/c20-13-7-15(22)14(21)6-12(13)11-2-1-10(5-16(11)26)28-3-4-29-17(19(23,24)25)8-27-18(29)9-28/h6-8,10-11,16H,1-5,9,26H2/t10-,11?,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4

Bioorg Med Chem Lett 17: 3384-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.095
BindingDB Entry DOI: 10.7270/Q2NK3DQW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50232502
PNG
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4 at 1 mg/kg

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


(Mus musculus)		BDBM468978
PNG
(1-[1-[(3R,5S,6R)-5-Amino-6- (2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|
Show InChI InChI=1S/C26H24F5N5O4/c27-14-1-2-18(29)17(8-14)23-20(32)10-16(12-40-23)36-5-3-21(34-36)35-6-4-26(39,25(35)38)24(37)33-11-13-7-15(28)9-19(30)22(13)31/h1-3,5,7-9,16,20,23,39H,4,6,10-12,32H2,(H,33,37)/t16-,20+,23-,26?/m1/s1
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n/an/a 13.1n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		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 15n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468980
PNG
(1-[1-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cccc(F)c2)C1=O |r|
Show InChI InChI=1S/C26H26F3N5O4/c27-16-3-1-2-15(10-16)13-31-24(35)26(37)7-9-33(25(26)36)22-6-8-34(32-22)18-12-21(30)23(38-14-18)19-11-17(28)4-5-20(19)29/h1-6,8,10-11,18,21,23,37H,7,9,12-14,30H2,(H,31,35)/t18-,21+,23-,26?/m1/s1
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n/an/a 18.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468981
PNG
((3S)-1-[2-[1-[(3R,5S,6R)-5-Amino-6-(2,5-difluoroph...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCC(=CC1)c1ncc(cn1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r,c:20|
Show InChI InChI=1S/C32H32ClF3N6O4/c33-20-9-18(10-22(35)11-20)14-40-30(43)32(45)5-8-42(31(32)44)24-15-38-29(39-16-24)19-3-6-41(7-4-19)23-13-27(37)28(46-17-23)25-12-21(34)1-2-26(25)36/h1-3,9-12,15-16,23,27-28,45H,4-8,13-14,17,37H2,(H,40,43)/t23-,27+,28-,32+/m1/s1
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n/an/a 25.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468961
PNG
((3S)-1-[6-[4-[(3S,5S,6R)-5-Amino-6-(2,5-difluoroph...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ccc(cn1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C32H34ClF3N6O4/c33-20-11-19(12-22(35)13-20)16-39-30(43)32(45)5-6-42(31(32)44)23-2-4-28(38-17-23)41-9-7-40(8-10-41)24-15-27(37)29(46-18-24)25-14-21(34)1-3-26(25)36/h1-4,11-14,17,24,27,29,45H,5-10,15-16,18,37H2,(H,39,43)/t24-,27+,29-,32+/m1/s1
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n/an/a 28.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468960
PNG
(1-[2-[4-[(3R,5S,6R)-5- Amino-6-(2,5- difluoropheny...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ncc(cn1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H32F5N7O4/c32-18-1-2-23(34)22(10-18)27-25(37)12-20(16-47-27)41-5-7-42(8-6-41)30-39-14-21(15-40-30)43-4-3-31(46,29(43)45)28(44)38-13-17-9-19(33)11-24(35)26(17)36/h1-2,9-11,14-15,20,25,27,46H,3-8,12-13,16,37H2,(H,38,44)/t20-,25+,27-,31?/m1/s1
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n/an/a 30.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM468959
PNG
(1-[2-[4-[(3R,5S,6R)-5-Amino-6-(2,5-difluorophenyl)...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ncc(cn1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H33F4N7O4/c32-19-4-5-23(33)22(12-19)27-25(36)13-20(17-46-27)40-8-10-41(11-9-40)30-38-15-21(16-39-30)42-7-6-31(45,29(42)44)28(43)37-14-18-2-1-3-24(34)26(18)35/h1-5,12,15-16,20,25,27,45H,6-11,13-14,17,36H2,(H,37,43)/t20-,25+,27-,31?/m1/s1
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n/an/a 32.5n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...

US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50003020
PNG
(MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in mouse plasma

J Med Chem 57: 3205-12 (2014)


Article DOI: 10.1021/jm401992e
BindingDB Entry DOI: 10.7270/Q2WD423H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50296490
PNG
((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...)
Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r|
Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6N mouse DPP4

Bioorg Med Chem Lett 19: 4097-101 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.011
BindingDB Entry DOI: 10.7270/Q2513Z7C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Mus musculus)		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 46n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Mus musculus)		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 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4 at 3 mg/kg

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		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509437
PNG
(CHEMBL4445546)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCCCCCCCC(=O)NCCS(O)(=O)=O)cc2s1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C36H49F3N4O8S3.C2HF3O2/c37-28-24-30(39)29(38)21-25(28)20-26(40)22-34(45)43-36(13-17-53(46,47)18-14-36)35-42-31-12-11-27(23-32(31)52-35)51-16-9-7-5-3-1-2-4-6-8-10-33(44)41-15-19-54(48,49)50;3-2(4,5)1(6)7/h11-12,21,23-24,26H,1-10,13-20,22,40H2,(H,41,44)(H,43,45)(H,48,49,50);(H,6,7)/t26-;/m1./s1
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n/an/a 82n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50390183
PNG
(CHEMBL2069830)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)c1ccc(F)cc1F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H20F5N3O/c21-13-1-2-19(18(25)9-13)27-3-5-28(6-4-27)20(29)10-14(26)7-12-8-16(23)17(24)11-15(12)22/h1-2,8-9,11,14H,3-7,10,26H2/t14-/m1/s1
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n/an/a 94.4n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4

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


(Mus musculus)		BDBM50509439
PNG
(CHEMBL4442618)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+](C)(C)CCNC(=O)CCCCCCCCCCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C39H56F3N5O5S2.2C2HF3O2/c1-47(2,3)19-18-44-36(48)13-11-9-7-5-4-6-8-10-12-20-52-30-14-15-34-35(26-30)53-38(45-34)39(16-21-54(50,51)22-17-39)46-37(49)25-29(43)23-28-24-32(41)33(42)27-31(28)40;2*3-2(4,5)1(6)7/h14-15,24,26-27,29H,4-13,16-23,25,43H2,1-3H3,(H-,44,46,48,49);2*(H,6,7)/t29-;;/m1../s1
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n/an/a 116n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50509438
PNG
(CHEMBL4584732)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCCCCCCCC(=O)NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc2s1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C40H57F3N4O10S2.C2HF3O2/c41-28-22-30(43)29(42)19-25(28)18-26(44)20-36(52)47-40(13-16-59(55,56)17-14-40)39-46-31-12-11-27(21-34(31)58-39)57-15-9-7-5-3-1-2-4-6-8-10-35(51)45-23-32(49)37(53)38(54)33(50)24-48;3-2(4,5)1(6)7/h11-12,19,21-22,26,32-33,37-38,48-50,53-54H,1-10,13-18,20,23-24,44H2,(H,45,51)(H,47,52);(H,6,7)/t26-,32+,33-,37-,38+;/m1./s1
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n/an/a 168n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay

J Med Chem 62: 10919-10925 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01649
BindingDB Entry DOI: 10.7270/Q2PN98X6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50242266
PNG
(CHEMBL4067185)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C28H33F3N4O6/c1-15(33-23(27(38)39)8-7-16-5-3-2-4-6-16)26(37)35-14-19(12-24(35)28(40)41)34-25(36)11-18(32)9-17-10-21(30)22(31)13-20(17)29/h2-6,10,13,15,18-19,23-24,33H,7-9,11-12,14,32H2,1H3,(H,34,36)(H,38,39)(H,40,41)/t15-,18+,19-,23-,24-/m0/s1
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n/an/a 217n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma DPP4

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50242264
PNG
(CHEMBL4086264)
Show SMILES CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H35F3N4O6/c1-2-23(35-24(28(39)40)9-8-16-6-4-3-5-7-16)27(38)36-15-19(13-25(36)29(41)42)34-26(37)12-18(33)10-17-11-21(31)22(32)14-20(17)30/h3-7,11,14,18-19,23-25,35H,2,8-10,12-13,15,33H2,1H3,(H,34,37)(H,39,40)(H,41,42)/t18-,19+,23+,24+,25+/m1/s1
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n/an/a 488n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma DPP4

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50009366
PNG
(CHEMBL3233842 | US11504364, Compound Ref.-Comp. | ...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
DPPIV enzymatic activity assay. To assay baseline dipeptidyl peptidase-4 (DPPIV) activity, 40 ng of recombinant human DPPIV (rhDPPIV) (R&S system, #1...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS607B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50242265
PNG
(CHEMBL4078112)
Show SMILES CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H37F3N4O6/c1-2-6-24(36-25(29(40)41)10-9-17-7-4-3-5-8-17)28(39)37-16-20(14-26(37)30(42)43)35-27(38)13-19(34)11-18-12-22(32)23(33)15-21(18)31/h3-5,7-8,12,15,19-20,24-26,36H,2,6,9-11,13-14,16,34H2,1H3,(H,35,38)(H,40,41)(H,42,43)/t19-,20+,24+,25+,26+/m1/s1
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n/an/a 2.47E+3n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma DPP4

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50242274
PNG
(CHEMBL4090635)
Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C31H39F3N4O6/c1-2-3-9-25(37-26(30(41)42)11-10-18-7-5-4-6-8-18)29(40)38-17-21(15-27(38)31(43)44)36-28(39)14-20(35)12-19-13-23(33)24(34)16-22(19)32/h4-8,13,16,20-21,25-27,37H,2-3,9-12,14-15,17,35H2,1H3,(H,36,39)(H,41,42)(H,43,44)/t20-,21+,25+,26+,27+/m1/s1
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n/an/a 7.17E+3n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma DPP4

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		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 |r|
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>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
DPPIV enzymatic activity assay. To assay baseline dipeptidyl peptidase-4 (DPPIV) activity, 40 ng of recombinant human DPPIV (rhDPPIV) (R&S system, #1...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS607B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM581063
PNG
(US11504364, Compound 2)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
DPPIV enzymatic activity assay. To assay baseline dipeptidyl peptidase-4 (DPPIV) activity, 40 ng of recombinant human DPPIV (rhDPPIV) (R&S system, #1...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XS607B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)		BDBM50614537
PNG
(CHEMBL5275304)		PDB
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n/an/a 7.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair