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BDBM50520198 CHEMBL4439649

SMILES: COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1OC

InChI Key: InChIKey=XSZIBPSYCJXTGT-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50520198   
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
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520198
PNG
(CHEMBL4439649)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1OC
Show InChI InChI=1S/C29H32N4O4/c1-36-26-11-10-20(16-27(26)37-2)18-32-13-12-25-24(19-32)28(31-33(25)14-15-34)29(35)30-17-22-8-5-7-21-6-3-4-9-23(21)22/h3-11,16,34H,12-15,17-19H2,1-2H3,(H,30,35)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.38E+5n/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
More data for this
Ligand-Target Pair