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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 = 'BDBM142095'   
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))
BDBM142095
PNG
(US8933056, Gly-boroPro Thioxamide)
Show SMILES NCC(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O2S/c8-4-6(12)9-3-1-2-5(9)7(10)11/h5,10-11H,1-4,8H2/t5-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/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))
BDBM142095
PNG
(US8933056, Gly-boroPro Thioxamide)
Show SMILES NCC(=S)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C6H13BN2O2S/c8-4-6(12)9-3-1-2-5(9)7(10)11/h5,10-11H,1-4,8H2/t5-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.90E+3n/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