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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisomal membrane protein PEX14' and Ligand = 'BDBM50520200'   
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
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520200
PNG
(CHEMBL4468339)
Show SMILES COc1ccc(CN2CCc3c(C2)c(CNS(=O)(=O)c2cccc4ccccc24)nn3CCO)c2ccccc12
Show InChI InChI=1S/C31H32N4O4S/c1-39-30-14-13-23(24-9-4-5-11-26(24)30)20-34-16-15-29-27(21-34)28(33-35(29)17-18-36)19-32-40(37,38)31-12-6-8-22-7-2-3-10-25(22)31/h2-14,32,36H,15-21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair