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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' AND taxid = 238   
Target
(Institution)
LigandTarget
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


(Flavobacterium meningosepticum)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
UniProtKB/SwissProt

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CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

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Article
PubMed
0.5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum POP


Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Flavobacterium meningosepticum)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.27n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum propyl endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Flavobacterium meningosepticum)
BDBM50250726
PNG
(3,5,17-O-Triacetyl-7-O-benzoyl-15-hydroxycheiradon...)
Show SMILES C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]1(COC(C)=O)[C@H]3[C@H](C=C[C@H]1OC(=O)c1ccccc1)C(C)(C)O[C@]3(C)C2=O
Show InChI InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)41-19(3)35)27(42-20(4)36)32(16-40-18(2)34)23(43-28(37)21-11-9-8-10-12-21)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3/t17-,22-,23+,24+,25-,26-,27+,31-,32+,33+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.69E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum propyl endopeptidase


Citation and Details
More data for this
Ligand-Target Pair