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BDBM142099 US8933056, N-(Benzyl)- Gly-boroPro Thioxamide

SMILES: OB(O)[C@@H]1CCCN1C(=S)CNCc1ccccc1

InChI Key: InChIKey=XHTBTGDRWXEWRI-LBPRGKRZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 142099   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142099
PNG
(US8933056, N-(Benzyl)- Gly-boroPro Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)CNCc1ccccc1 |r|
Show InChI InChI=1S/C13H19BN2O2S/c17-14(18)12-7-4-8-16(12)13(19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,17-18H,4,7-10H2/t12-/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 170n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142099
PNG
(US8933056, N-(Benzyl)- Gly-boroPro Thioxamide)
Show SMILES OB(O)[C@@H]1CCCN1C(=S)CNCc1ccccc1 |r|
Show InChI InChI=1S/C13H19BN2O2S/c17-14(18)12-7-4-8-16(12)13(19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,17-18H,4,7-10H2/t12-/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 24n/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