BindingDB logo
myBDB logout

PubMed code 18996694

Compile data set for download or QSAR
Found 30 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 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=1S/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-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Dipeptidyl peptidase 4 (DPP4)


(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=1S/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-/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 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 (DPP4)


(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=1S/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-/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 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 (DPP4)


(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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
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 (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 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)
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=1S/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-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50256617
PNG
((R)-5-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(nc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H23F3N4O4/c23-16-11-18(25)17(24)9-14(16)8-15(26)10-20(30)28-4-1-5-29(7-6-28)21(31)13-2-3-19(22(32)33)27-12-13/h2-3,9,11-12,15H,1,4-8,10,26H2,(H,32,33)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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 (DPP4)


(Homo sapiens (human))
BDBM50256572
PNG
((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(N)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H25F3N4O3/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(31)29-6-1-7-30(9-8-29)23(33)15-4-2-14(3-5-15)22(28)32/h2-5,11,13,17H,1,6-10,12,27H2,(H2,28,32)/t17-/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 180n/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 (DPP4)


(Homo sapiens (human))
BDBM50256569
PNG
((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 223n/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 (DPP4)


(Homo sapiens (human))
BDBM50256570
PNG
((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O5S/c23-18-13-20(25)19(24)11-15(18)10-16(26)12-21(29)27-6-1-7-28(9-8-27)34(32,33)17-4-2-14(3-5-17)22(30)31/h2-5,11,13,16H,1,6-10,12,26H2,(H,30,31)/t16-/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 239n/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 (DPP4)


(Homo sapiens (human))
BDBM50256663
PNG
((R)-5-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(o1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O5/c22-14-11-16(24)15(23)9-12(14)8-13(25)10-19(28)26-4-1-5-27(7-6-26)20(29)17-2-3-18(32-17)21(30)31/h2-3,9,11,13H,1,4-8,10,25H2,(H,30,31)/t13-/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 260n/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 (DPP4)


(Homo sapiens (human))
BDBM50256616
PNG
((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H25F3N4O4S/c23-18-13-20(25)19(24)11-15(18)10-16(26)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-17(5-3-14)34(27,32)33/h2-5,11,13,16H,1,6-10,12,26H2,(H2,27,32,33)/t16-/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 288n/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 (DPP4)


(Homo sapiens (human))
BDBM50256437
PNG
((R)-3-amino-1-(4-tosyl-1,4-diazepan-1-yl)-4-(2,4,5...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H26F3N3O3S/c1-15-3-5-18(6-4-15)32(30,31)28-8-2-7-27(9-10-28)22(29)13-17(26)11-16-12-20(24)21(25)14-19(16)23/h3-6,12,14,17H,2,7-11,13,26H2,1H3/t17-/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 350n/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 (DPP4)


(Homo sapiens (human))
BDBM50256440
PNG
((R)-3-amino-1-(4-benzyl-1,4-diazepan-1-yl)-4-(2,4,...)
Show SMILES N[C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H26F3N3O/c23-19-14-21(25)20(24)12-17(19)11-18(26)13-22(29)28-8-4-7-27(9-10-28)15-16-5-2-1-3-6-16/h1-3,5-6,12,14,18H,4,7-11,13,15,26H2/t18-/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 387n/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 (DPP4)


(Homo sapiens (human))
BDBM50256439
PNG
((R)-3-amino-1-(4-(4-nitrophenylsulfonyl)-1,4-diaze...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H23F3N4O5S/c22-18-13-20(24)19(23)11-14(18)10-15(25)12-21(29)26-6-1-7-27(9-8-26)34(32,33)17-4-2-16(3-5-17)28(30)31/h2-5,11,13,15H,1,6-10,12,25H2/t15-/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 405n/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 (DPP4)


(Homo sapiens (human))
BDBM50256387
PNG
((R)-3-amino-1-(4-nicotinoyl-1,4-diazepan-1-yl)-4-(...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1cccnc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H23F3N4O2/c22-17-12-19(24)18(23)10-15(17)9-16(25)11-20(29)27-5-2-6-28(8-7-27)21(30)14-3-1-4-26-13-14/h1,3-4,10,12-13,16H,2,5-9,11,25H2/t16-/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 410n/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 (DPP4)


(Homo sapiens (human))
BDBM50256519
PNG
((R)-3-amino-1-(4-(pyrazin-2-yl)-1,4-diazepan-1-yl)...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)c1cnccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H22F3N5O/c20-15-11-17(22)16(21)9-13(15)8-14(23)10-19(28)27-5-1-4-26(6-7-27)18-12-24-2-3-25-18/h2-3,9,11-12,14H,1,4-8,10,23H2/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 423n/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 (DPP4)


(Homo sapiens (human))
BDBM50256327
PNG
((R)-3-amino-1-(4-(benzo[d][1,3]dioxole-5-carbonyl)...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc2OCOc2c1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H24F3N3O4/c24-17-12-19(26)18(25)9-15(17)8-16(27)11-22(30)28-4-1-5-29(7-6-28)23(31)14-2-3-20-21(10-14)33-13-32-20/h2-3,9-10,12,16H,1,4-8,11,13,27H2/t16-/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 490n/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 (DPP4)


(Homo sapiens (human))
BDBM50256388
PNG
((R)-benzyl 4-(3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)OCc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H26F3N3O3/c24-19-14-21(26)20(25)12-17(19)11-18(27)13-22(30)28-7-4-8-29(10-9-28)23(31)32-15-16-5-2-1-3-6-16/h1-3,5-6,12,14,18H,4,7-11,13,15,27H2/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/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 (DPP4)


(Homo sapiens (human))
BDBM50256325
PNG
((R)-3-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=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)27-7-4-8-28(10-9-27)22(30)15-5-2-1-3-6-15/h1-3,5-6,12,14,17H,4,7-11,13,26H2/t17-/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 510n/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 (DPP4)


(Homo sapiens (human))
BDBM50256518
PNG
((R)-3-amino-1-(4-(pyrimidin-2-yl)-1,4-diazepan-1-y...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)c1ncccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H22F3N5O/c20-15-12-17(22)16(21)10-13(15)9-14(23)11-18(28)26-5-2-6-27(8-7-26)19-24-3-1-4-25-19/h1,3-4,10,12,14H,2,5-9,11,23H2/t14-/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 597n/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 (DPP4)


(Homo sapiens (human))
BDBM50256571
PNG
((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)Nc1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H25F3N4O4/c24-18-13-20(26)19(25)11-15(18)10-16(27)12-21(31)29-6-1-7-30(9-8-29)23(34)28-17-4-2-14(3-5-17)22(32)33/h2-5,11,13,16H,1,6-10,12,27H2,(H,28,34)(H,32,33)/t16-/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 788n/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 (DPP4)


(Homo sapiens (human))
BDBM50256389
PNG
((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)Nc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H25F3N4O2/c23-18-14-20(25)19(24)12-15(18)11-16(26)13-21(30)28-7-4-8-29(10-9-28)22(31)27-17-5-2-1-3-6-17/h1-3,5-6,12,14,16H,4,7-11,13,26H2,(H,27,31)/t16-/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 1.39E+3n/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 (DPP4)


(Homo sapiens (human))
BDBM50256324
PNG
((R)-3-amino-1-(1,4-diazepan-1-yl)-4-(2,4,5-trifluo...)
Show SMILES N[C@@H](CC(=O)N1CCCNCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C15H20F3N3O/c16-12-9-14(18)13(17)7-10(12)6-11(19)8-15(22)21-4-1-2-20-3-5-21/h7,9,11,20H,1-6,8,19H2/t11-/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 1.44E+3n/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 (DPP4)


(Homo sapiens (human))
BDBM50256390
PNG
((R)-3-amino-1-(4-(4-methylpiperazine-1-carbonyl)-1...)
Show SMILES CN1CCN(CC1)C(=O)N1CCCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H30F3N5O2/c1-26-5-7-29(8-6-26)21(31)28-4-2-3-27(9-10-28)20(30)13-16(25)11-15-12-18(23)19(24)14-17(15)22/h12,14,16H,2-11,13,25H2,1H3/t16-/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 1.50E+3n/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 (DPP4)


(Homo sapiens (human))
BDBM50256438
PNG
((R)-3-amino-1-(4-(methylsulfonyl)-1,4-diazepan-1-y...)
Show SMILES CS(=O)(=O)N1CCCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H22F3N3O3S/c1-26(24,25)22-4-2-3-21(5-6-22)16(23)9-12(20)7-11-8-14(18)15(19)10-13(11)17/h8,10,12H,2-7,9,20H2,1H3/t12-/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 3.10E+3n/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 (DPP4)


(Homo sapiens (human))
BDBM50256326
PNG
((R)-1-(4-acetyl-1,4-diazepan-1-yl)-3-amino-4-(2,4,...)
Show SMILES CC(=O)N1CCCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(24)22-3-2-4-23(6-5-22)17(25)9-13(21)7-12-8-15(19)16(20)10-14(12)18/h8,10,13H,2-7,9,21H2,1H3/t13-/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 3.40E+3n/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 VIII


(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=1S/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-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.27E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (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 (DPP4)


(Homo sapiens (human))
BDBM50256517
PNG
((R)-3-amino-1-(4-ethyl-1,4-diazepan-1-yl)-4-(2,4,5...)
Show SMILES CCN1CCCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H24F3N3O/c1-2-22-4-3-5-23(7-6-22)17(24)10-13(21)8-12-9-15(19)16(20)11-14(12)18/h9,11,13H,2-8,10,21H2,1H3/t13-/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 6.40E+3n/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 VIII


(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=1S/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-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (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
* indicates data uncertainty>20%