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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50015109   
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))
BDBM50100134
PNG
(2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...)
Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
PDB

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PDB
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Similars

PDB
Article
PubMed
n/an/an/a 1.52E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582856
PNG
(CHEMBL5093510)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)Nc2ccccc2)cc1
PDB

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n/an/an/a 4.05E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582826
PNG
(CHEMBL5082005)
Show SMILES COc1ccc(\C=C\c2ccccc2NS(=O)(=O)c2ccccc2)cc1
PDB

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n/an/an/a 4.88E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582827
PNG
(CHEMBL5075837)
Show SMILES COc1ccc(\C=C\c2cccc(NC(=O)c3ccccc3)c2)cc1
PDB

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n/an/an/a 180n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582828
PNG
(CHEMBL5069753)
Show SMILES Fc1ccc(\C=C\c2cccc(NC(=O)c3ccccc3)c2)cc1
PDB

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n/an/an/a 490n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582829
PNG
(CHEMBL5082010)
Show SMILES COc1ccc(\C=C\c2ccc(NC(=O)c3ccccc3)cc2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582830
PNG
(CHEMBL5091351)
Show SMILES Fc1ccc(\C=C\c2ccc(NC(=O)c3ccccc3)cc2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582831
PNG
(CHEMBL5074716)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
PDB

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n/an/an/a 40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582832
PNG
(CHEMBL5078735)
Show SMILES Fc1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
PDB

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n/an/an/a 400n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582833
PNG
(CHEMBL5082659)
Show SMILES Fc1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582834
PNG
(CHEMBL5086296)
Show SMILES CN(C)c1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
PDB

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n/an/an/a 140n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582835
PNG
(CHEMBL5094700)
Show SMILES [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582836
PNG
(CHEMBL5091796)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2cccnn2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582837
PNG
(CHEMBL5085898)
Show SMILES Fc1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
PDB

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n/an/an/a 2.74E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582838
PNG
(CHEMBL5090223)
Show SMILES Fc1ccc(\C=C\c2ccccc2NC(=O)c2ccn[nH]2)cc1
PDB

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n/an/an/a 1.83E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582839
PNG
(CHEMBL5072207)
Show SMILES CN(C)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
PDB

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n/an/an/a 150n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582840
PNG
(CHEMBL5092684)
Show SMILES CN(C)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
PDB

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n/an/an/a 100n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582841
PNG
(CHEMBL5075163)
Show SMILES [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccc2)cc1
PDB

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n/an/an/a 140n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582842
PNG
(CHEMBL5087695)
Show SMILES [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
PDB

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n/an/an/a 10n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582843
PNG
(CHEMBL5081194)
Show SMILES [O-][N+](=O)c1ccc(\C=C\c2ccccc2NC(=O)c2ccn[nH]2)cc1
PDB

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n/an/an/a 1.13E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582844
PNG
(CHEMBL5084363)
Show SMILES [O-][N+](=O)c1cccc(\C=C\c2ccccc2NC(=O)c2ccccc2)c1
PDB

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n/an/an/a 380n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582845
PNG
(CHEMBL5076196)
Show SMILES [O-][N+](=O)c1cccc(\C=C\c2ccccc2NC(=O)c2ccccn2)c1
PDB

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n/an/an/a 3.58E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582846
PNG
(CHEMBL5088083)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2ccccn2)cc1
PDB

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n/an/an/a 70n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582847
PNG
(CHEMBL5092397)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2cccnc2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582848
PNG
(CHEMBL5092932)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2ccncc2)cc1
PDB

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n/an/an/a 420n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582849
PNG
(CHEMBL5080710)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2ccn[nH]2)cc1
PDB

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n/an/an/a 320n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582850
PNG
(CHEMBL5071009)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
PDB

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n/an/an/a 6.66E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582851
PNG
(CHEMBL5085623)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)Cc2ccccc2)cc1
PDB

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n/an/an/a 250n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582852
PNG
(CHEMBL5079958)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2cccs2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582853
PNG
(CHEMBL5082879)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)c2nccs2)cc1
PDB

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n/an/an/a 700n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582854
PNG
(CHEMBL5086126)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)NCc2cnccn2)cc1
PDB

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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50582855
PNG
(CHEMBL5070762)
Show SMILES COc1ccc(\C=C\c2ccccc2NC(=O)NCc2ccccc2)cc1
PDB

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n/an/an/a 640n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389294
PNG
(CHEMBL2063787)
Show SMILES COc1ccc2Nc3ccc(cc3Sc2c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 60n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113887
BindingDB Entry DOI: 10.7270/Q2FX7FBG
More data for this
Ligand-Target Pair