BindingDB logo
myBDB logout

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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (DPP4)


(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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 IX


(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=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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 VIII


(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=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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Dipeptidyl peptidase II


(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
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Aminopeptidase N


(Homo sapiens)
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=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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Voltage-gated potassium channel


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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%