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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 = 'BDBM303946'   
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))		BDBM303946
PNG
(US10138242, Compound 32)
Show SMILES Cn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C28H27N5O/c1-32-26-13-14-33(17-21-16-29-25-12-5-4-11-23(21)25)18-24(26)27(31-32)28(34)30-15-20-9-6-8-19-7-2-3-10-22(19)20/h2-12,16,29H,13-15,17-18H2,1H3,(H,30,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 5.11E+4n/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