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Compile Data Set for Download or QSAR

Found 19 hits of ic50 data for polymerid = 7498   
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
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
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n/an/a 134n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389304
PNG
(CHEMBL2063797)
Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(OCCF)cc3Sc2c1
Show InChI InChI=1S/C14H11FN2O3S/c15-5-6-20-10-2-4-12-14(8-10)21-13-7-9(17(18)19)1-3-11(13)16-12/h1-4,7-8,16H,5-6H2
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n/an/a 204n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389305
PNG
(CHEMBL2063798)
Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(OC\C=C\I)cc3Sc2c1
Show InChI InChI=1S/C15H11IN2O3S/c16-6-1-7-21-11-3-5-13-15(9-11)22-14-8-10(18(19)20)2-4-12(14)17-13/h1-6,8-9,17H,7H2/b6-1+
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n/an/a 241n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389295
PNG
(CHEMBL2063788)
Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(Br)cc3Sc2c1
Show InChI InChI=1S/C12H7BrN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H
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n/an/a 314n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389296
PNG
(CHEMBL2063789)
Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(I)cc3Sc2c1
Show InChI InChI=1S/C12H7IN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H
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n/an/a 442n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389291
PNG
(CHEMBL1976750)
Show SMILES [O-][N+](=O)c1ccc2Nc3ccccc3Sc2c1
Show InChI InChI=1S/C12H8N2O2S/c15-14(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)13-10/h1-7,13H
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n/an/a 485n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389292
PNG
(CHEMBL2063785)
Show SMILES COc1ccc2Nc3ccc(OC)cc3Sc2c1
Show InChI InChI=1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3
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n/an/a 507n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389293
PNG
(CHEMBL2063786)
Show SMILES COc1ccc2Nc3ccc(cc3Sc2c1)C#N
Show InChI InChI=1S/C14H10N2OS/c1-17-10-3-5-12-14(7-10)18-13-6-9(8-15)2-4-11(13)16-12/h2-7,16H,1H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389306
PNG
(CHEMBL2062539)
Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(OCC#C)cc3Sc2c1
Show InChI InChI=1S/C15H10N2O3S/c1-2-7-20-11-4-6-13-15(9-11)21-14-8-10(17(18)19)3-5-12(14)16-13/h1,3-6,8-9,16H,7H2
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n/an/a 2.29E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389299
PNG
(CHEMBL2063792)
Show SMILES CNc1ccc2N(C)c3ccc(OC)cc3Sc2c1
Show InChI InChI=1S/C15H16N2OS/c1-16-10-4-6-12-14(8-10)19-15-9-11(18-3)5-7-13(15)17(12)2/h4-9,16H,1-3H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389298
PNG
(CHEMBL2063791)
Show SMILES COc1ccc2N(C)c3ccc(N)cc3Sc2c1
Show InChI InChI=1S/C14H14N2OS/c1-16-11-5-3-9(15)7-13(11)18-14-8-10(17-2)4-6-12(14)16/h3-8H,15H2,1-2H3
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n/an/a 3.93E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389300
PNG
(CHEMBL2063793)
Show SMILES COc1ccc2N(C)c3ccc(cc3Sc2c1)N(C)C
Show InChI InChI=1S/C16H18N2OS/c1-17(2)11-5-7-13-15(9-11)20-16-10-12(19-4)6-8-14(16)18(13)3/h5-10H,1-4H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389301
PNG
(CHEMBL2063794)
Show SMILES COc1ccc2N(C(C)=O)c3ccc(cc3Sc2c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N2O4S/c1-9(18)16-12-5-3-10(17(19)20)7-14(12)22-15-8-11(21-2)4-6-13(15)16/h3-8H,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50332797
PNG
(CHEMBL1629794 | N-[2-(10H-Phenothiazin-10-yl)ethyl...)
Show SMILES CN1CCN(CC1)NCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N4S/c1-21-12-14-22(15-13-21)20-10-11-23-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)23/h2-9,20H,10-15H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389302
PNG
(CHEMBL2063795)
Show SMILES CC(=O)N1c2ccccc2Sc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O3S/c1-9(17)15-11-4-2-3-5-13(11)20-14-8-10(16(18)19)6-7-12(14)15/h2-8H,1H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50332798
PNG
(CHEMBL1629795 | N-(3-Chloro-10H-phenothiazin-10-yl...)
Show SMILES CN(C)CCC(=O)NN1c2ccccc2Sc2cc(Cl)ccc12
Show InChI InChI=1S/C17H18ClN3OS/c1-20(2)10-9-17(22)19-21-13-5-3-4-6-15(13)23-16-11-12(18)7-8-14(16)21/h3-8,11H,9-10H2,1-2H3,(H,19,22)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50012855
PNG
(10H-Phenothiazin | 10H-phenothiazine | CHEMBL828 |...)
Show SMILES N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
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n/an/a 2.60E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389303
PNG
(CHEMBL2063796)
Show SMILES CC(=O)N1c2ccc(O)cc2Sc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O4S/c1-8(17)15-11-4-2-9(16(19)20)6-13(11)21-14-7-10(18)3-5-12(14)15/h2-7,18H,1H3
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n/an/a 3.21E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389297
PNG
(CHEMBL2063790)
Show SMILES COc1ccc2N(C)c3ccc(cc3Sc2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O3S/c1-15-11-5-3-9(16(17)18)7-13(11)20-14-8-10(19-2)4-6-12(14)15/h3-8H,1-2H3
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n/an/a 3.73E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay


Bioorg Med Chem 20: 4625-34 (2012)

More data for this
Ligand-Target Pair