BindingDB logo
myBDB logout

BDBM298356 (S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzoyl)-4-(methythio)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile::US10125097, Example 5::US10611727, Example 5

SMILES: COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)SC

InChI Key: InChIKey=AXAQGOMOKDBQGF-FKBYEOEOSA-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 = 298356   
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
Prolyl endopeptidase-like


(Human)
BDBM298356
PNG
((S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)SC |r|
Show InChI InChI=1S/C27H31N3O5S/c1-33-23-12-19(13-24(34-2)25(23)35-17-18-8-5-4-6-9-18)26(31)30-16-21(36-3)14-22(30)27(32)29-11-7-10-20(29)15-28/h4-6,8-9,12-13,20-22H,7,10-11,14,16-17H2,1-3H3/t20-,21-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 176n/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)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298356
PNG
((S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)SC |r|
Show InChI InChI=1S/C27H31N3O5S/c1-33-23-12-19(13-24(34-2)25(23)35-17-18-8-5-4-6-9-18)26(31)30-16-21(36-3)14-22(30)27(32)29-11-7-10-20(29)15-28/h4-6,8-9,12-13,20-22H,7,10-11,14,16-17H2,1-3H3/t20-,21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 176n/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