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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.4
BDBM298361

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Prolyl endopeptidase-like


(Human)
BDBM298361
PNG
((S)-1-((2S)-1-(4-acetoxy-3,5-dimethoxybenzoyl)-4,4...)
Show SMILES COc1cc(cc(OC)c1OC(C)=O)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H23F2N3O6/c1-12(27)32-18-16(30-2)7-13(8-17(18)31-3)19(28)26-11-21(22,23)9-15(26)20(29)25-6-4-5-14(25)10-24/h7-8,14-15H,4-6,9,11H2,1-3H3/t14-,15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 352n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNACIÓ INSTITUT DE RECERCA BIOMÉDICA; IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10611727 (2020)


BindingDB Entry DOI: 10.7270/Q2377CQK
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298361
PNG
((S)-1-((2S)-1-(4-acetoxy-3,5-dimethoxybenzoyl)-4,4...)
Show SMILES COc1cc(cc(OC)c1OC(C)=O)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H23F2N3O6/c1-12(27)32-18-16(30-2)7-13(8-17(18)31-3)19(28)26-11-21(22,23)9-15(26)20(29)25-6-4-5-14(25)10-24/h7-8,14-15H,4-6,9,11H2,1-3H3/t14-,15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 352n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)


BindingDB Entry DOI: 10.7270/Q22J6DX3
More data for this
Ligand-Target Pair