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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM142100'   
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


(Homo sapiens (Human))
BDBM142100
PNG
(US8933056, Asp-boroPro Thioxamide)
Show SMILES N[C@@H](CC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4S/c10-5(4-7(12)13)8(16)11-3-1-2-6(11)9(14)15/h5-6,14-15H,1-4,10H2,(H,12,13)/t5-,6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142100
PNG
(US8933056, Asp-boroPro Thioxamide)
Show SMILES N[C@@H](CC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C8H15BN2O4S/c10-5(4-7(12)13)8(16)11-3-1-2-6(11)9(14)15/h5-6,14-15H,1-4,10H2,(H,12,13)/t5-,6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair