BindingDB logo
myBDB logout

PubMed code 24948564

Compile data set for download or QSAR
Found 5 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))
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 18n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50046172
PNG
(CHEMBL3310986)
Show SMILES Cn1c2ccccc2c(O)c(c1=O)C(C)(NN)Nc1ccccc1
Show InChI InChI=1S/C18H20N4O2/c1-18(21-19,20-12-8-4-3-5-9-12)15-16(23)13-10-6-7-11-14(13)22(2)17(15)24/h3-11,20-21,23H,19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50046173
PNG
(CHEMBL3310987)
Show SMILES CCn1c2ccccc2c(O)c(c1=O)C(C)(NN)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O2/c1-4-24-16-8-6-5-7-15(16)18(25)17(19(24)26)20(3,23-21)22-14-11-9-13(2)10-12-14/h5-12,22-23,25H,4,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.95E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50046174
PNG
(CHEMBL3310988)
Show SMILES Cc1ccc(=N)n(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C13H13FN2/c1-10-5-6-13(15)16(8-10)9-11-3-2-4-12(14)7-11/h2-8,15H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.47E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50099657
PNG
(CHEMBL3310990)
Show SMILES N=CC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H13ClF2N2O2/c22-15-5-1-3-7-18(15)26-20(12-28-19-8-4-2-6-16(19)24)25-17-10-9-13(23)11-14(17)21(26)27/h1-11H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%