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Compile Data Set for Download or QSAR

Found 374 hits with Last Name = 'kim' and Initial = 'kr'   
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 IV


(Sus scrofa (pig))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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44n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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56.2n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50220217
PNG
(CHEMBL238138 | [3-hydroxy-3',5'-bis-trifluoromethy...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccc(cc1)C(F)(F)F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H15F9O5/c25-22(26,27)15-3-1-12(2-4-15)10-37-19-8-14(7-18(34)21(19)38-11-20(35)36)13-5-16(23(28,29)30)9-17(6-13)24(31,32)33/h1-9,34H,10-11H2,(H,35,36)
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1.10E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50220217
PNG
(CHEMBL238138 | [3-hydroxy-3',5'-bis-trifluoromethy...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccc(cc1)C(F)(F)F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H15F9O5/c25-22(26,27)15-3-1-12(2-4-15)10-37-19-8-14(7-18(34)21(19)38-11-20(35)36)13-5-16(23(28,29)30)9-17(6-13)24(31,32)33/h1-9,34H,10-11H2,(H,35,36)
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8.20E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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
Show InChI InChI=1/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+/s2
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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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286099
PNG
(N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...)
Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
Show InChI InChI=1/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)
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n/an/a 2.80n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
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
Show InChI InChI=1/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?/s2
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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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/s2
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n/an/a 5.80n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
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
Show InChI InChI=1/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?/s2
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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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286095
PNG
((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...)
Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/s2
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n/an/a 8.5n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
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
Show InChI InChI=1/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-/s2
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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))
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
Show InChI InChI=1/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?/s2
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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))
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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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+/s2
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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
Show InChI InChI=1/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-/s2
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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)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/s2
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n/an/a 24.7n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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
Show InChI InChI=1/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?/s2
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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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286096
PNG
(3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)
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US Patent
n/an/a 29.3n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286096
PNG
(3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...)
Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)
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n/an/a 40.4n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
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
Show InChI InChI=1/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?/s2
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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 2 (DPP II)


(Homo sapiens (Human))
BDBM50256618
PNG
((R)-3-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-5-2-6-29(8-7-28)22(31)14-3-1-4-15(9-14)23(32)33/h1,3-4,9,11,13,17H,2,5-8,10,12,27H2,(H,32,33)/t17-/s2
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n/an/a 46.8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.076
BindingDB Entry DOI: 10.7270/Q25D8RQV
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437758
PNG
(CHEMBL2409565)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3cn(nc3C(F)(F)F)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C32H28F3N5O3/c33-32(34,35)29-25(18-40(39-29)24-4-2-1-3-5-24)31(43)36-23-14-15-26-27(17-23)38-30(37-26)22-12-10-21(11-13-22)20-8-6-19(7-9-20)16-28(41)42/h1-5,10-15,17-20H,6-9,16H2,(H,36,43)(H,37,38)(H,41,42)
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n/an/a 49n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
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
Show InChI InChI=1/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?/s2
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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))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/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 DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
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
Show InChI InChI=1/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-/s2
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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 DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256618
PNG
((R)-3-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-5-2-6-29(8-7-28)22(31)14-3-1-4-15(9-14)23(32)33/h1,3-4,9,11,13,17H,2,5-8,10,12,27H2,(H,32,33)/t17-/s2
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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 DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.076
BindingDB Entry DOI: 10.7270/Q25D8RQV
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
Show InChI InChI=1/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?/s2
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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
Show InChI InChI=1/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?/s2
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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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286098
PNG
((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12
Show InChI InChI=1/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/s2
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US Patent
n/an/a 58.6n/an/an/an/an/an/a



YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD.

US Patent


Assay Description
Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...


US Patent US10081635 (2018)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2R213D4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50150870
PNG
(6-{2-[2-((S)-5-Cyano-pyrazolidin-1-yl)-2-oxo-ethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1NCC[C@H]1C#N
Show InChI InChI=1S/C14H17N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,9,12,17,20H,3-6,10H2,(H,18,19)/t12-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
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
Show InChI InChI=1/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?/s2
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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))
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
Show InChI InChI=1/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?/s2
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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))
BDBM50256619
PNG
((R)-5-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cncc(c1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C22H23F3N4O4/c23-17-10-19(25)18(24)8-13(17)7-16(26)9-20(30)28-2-1-3-29(5-4-28)21(31)14-6-15(22(32)33)12-27-11-14/h6,8,10-12,16H,1-5,7,9,26H2,(H,32,33)/t16-/s2
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n/an/a 67n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.076
BindingDB Entry DOI: 10.7270/Q25D8RQV
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
Show InChI InChI=1/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?/s2
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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))
BDBM50256266
PNG
((2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/s2
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n/an/a 70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.076
BindingDB Entry DOI: 10.7270/Q25D8RQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Show InChI InChI=1/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?/s2
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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))
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
Show InChI InChI=1/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?/s2
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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))
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
Show InChI InChI=1/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?/s2
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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))
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
Show InChI InChI=1/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?/s2
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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))
BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/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
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
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
Show InChI InChI=1/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-/s2
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n/an/a 87n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.076
BindingDB Entry DOI: 10.7270/Q25D8RQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50355142
PNG
(CHEMBL1835919)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
Show InChI InChI=1/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
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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 DGAT-1 in mouse liver microsomes using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation cou...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
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
Show InChI InChI=1/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?/s2
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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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50355142
PNG
(CHEMBL1835919)
Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
Show InChI InChI=1/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
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n/an/a 90n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437757
PNG
(CHEMBL2409563)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3noc(n3)-c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C30H27N5O4/c36-26(37)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-32-24-15-14-23(17-25(24)33-27)31-29(38)28-34-30(39-35-28)22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,31,38)(H,32,33)(H,36,37)
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n/an/a 90n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...


Bioorg Med Chem Lett 23: 4713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63
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
Show InChI InChI=1/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?/s2
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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 2 (DPP II)


(Homo sapiens (Human))
BDBM50256619
PNG
((R)-5-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cncc(c1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1/C22H23F3N4O4/c23-17-10-19(25)18(24)8-13(17)7-16(26)9-20(30)28-2-1-3-29(5-4-28)21(31)14-6-15(22(32)33)12-27-11-14/h6,8,10-12,16H,1-5,7,9,26H2,(H,32,33)/t16-/s2
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n/an/a 99.4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.076
BindingDB Entry DOI: 10.7270/Q25D8RQV
More data for this
Ligand-Target Pair
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