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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-synuclein' and Ligand = 'BDBM50545098'   
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
Alpha-synuclein


(Homo sapiens (Human))		BDBM50545098
PNG
(CHEMBL4644640)
Show SMILES [O-][N+](=O)c1ccccc1CN(Cc1ccccc1)C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN2O3/c24-21-13-10-18(11-14-21)12-15-23(27)25(16-19-6-2-1-3-7-19)17-20-8-4-5-9-22(20)26(28)29/h1-15H,16-17H2/b15-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 47n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to human wlid-type alpha-synuclein by SPR analysis

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115358
BindingDB Entry DOI: 10.7270/Q2X92FWW
More data for this
Ligand-Target Pair