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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50303448'   
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


(Homo sapiens (Human))		BDBM50303448
PNG
(Beta-elemonic acid | CHEMBL566929)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
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Similars
Article
PubMed
n/an/a 3.97E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of prolyl endopeptidase

J Nat Prod 68: 189-93 (2005)


Article DOI: 10.1021/np040142x
BindingDB Entry DOI: 10.7270/Q22V2H18
More data for this
Ligand-Target Pair