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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 262.3
BDBM50510752

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50510752
PNG
(CHEMBL4465081)
Show SMILES Cc1ccc2oc(\C=C\C=C\c3ccncc3)nc2c1
Show InChI InChI=1S/C17H14N2O/c1-13-6-7-16-15(12-13)19-17(20-16)5-3-2-4-14-8-10-18-11-9-14/h2-12H,1H3/b4-2+,5-3+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.43E+3n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of alpha-synuclein aggregation (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 days by thioflavin T fluorescence...


Bioorg Med Chem 27: 3089-3096 (2019)


Article DOI: 10.1016/j.bmc.2019.05.032
BindingDB Entry DOI: 10.7270/Q290274V
More data for this
Ligand-Target Pair