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BDBM298352 (S)-1-((2S,4R)-1-(4-(benzyloxy)-3,5-dimethoxybenzoyl)-4-fluoropyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile::US10125097, Example 2::US10611727, Example 2

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

InChI Key: InChIKey=VPSURWWYROJTIQ-HKBOAZHASA-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 = 298352   
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)
BDBM298352
PNG
((S)-1-((2S,4R)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C26H28FN3O5/c1-33-22-11-18(12-23(34-2)24(22)35-16-17-7-4-3-5-8-17)25(31)30-15-19(27)13-21(30)26(32)29-10-6-9-20(29)14-28/h3-5,7-8,11-12,19-21H,6,9-10,13,15-16H2,1-2H3/t19-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60.4n/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))
BDBM298352
PNG
((S)-1-((2S,4R)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C26H28FN3O5/c1-33-22-11-18(12-23(34-2)24(22)35-16-17-7-4-3-5-8-17)25(31)30-15-19(27)13-21(30)26(32)29-10-6-9-20(29)14-28/h3-5,7-8,11-12,19-21H,6,9-10,13,15-16H2,1-2H3/t19-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60.4n/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