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Found 205 hits Enz. Inhib. hit(s) with Target = 'Alpha-synuclein'   
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))
BDBM170546
PNG
(US9085549, 57 | US9085549, 64)
Show SMILES Oc1ccc(cc1O)-c1nsc(n1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H10N2O4S/c17-9-3-1-7(5-11(9)19)13-15-14(21-16-13)8-2-4-10(18)12(20)6-8/h1-6,17-20H
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89n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170553
PNG
(US9085549, 58)
Show SMILES Oc1ccc(cc1O)-c1ccc(s1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O4S/c17-11-3-1-9(7-13(11)19)15-5-6-16(21-15)10-2-4-12(18)14(20)8-10/h1-8,17-20H
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105n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170546
PNG
(US9085549, 57 | US9085549, 64)
Show SMILES Oc1ccc(cc1O)-c1nsc(n1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H10N2O4S/c17-9-3-1-7(5-11(9)19)13-15-14(21-16-13)8-2-4-10(18)12(20)6-8/h1-6,17-20H
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124n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170556
PNG
(US9085549, 66)
Show SMILES Oc1ccc(cc1O)-c1nnc(s1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C14H9BrN2O4S/c15-8-5-12(21)11(20)4-7(8)14-17-16-13(22-14)6-1-2-9(18)10(19)3-6/h1-5,18-21H
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135n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170564
PNG
(US9085549, 82)
Show SMILES Oc1ccc(cc1O)-c1cnc(s1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C15H10BrNO4S/c16-9-5-13(21)12(20)4-8(9)15-17-6-14(22-15)7-1-2-10(18)11(19)3-7/h1-6,18-21H
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177n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170562
PNG
(US9085549, 76)
Show SMILES COc1cc(ccc1O)-c1nnc(s1)-c1cc(O)c(O)cc1I
Show InChI InChI=1S/C15H11IN2O4S/c1-22-13-4-7(2-3-10(13)19)14-17-18-15(23-14)8-5-11(20)12(21)6-9(8)16/h2-6,19-21H,1H3
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219n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170545
PNG
(US9085549, 86)
Show SMILES Oc1ccc(cc1O)-c1ncc(s1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C15H10BrNO4S/c16-9-5-13(21)12(20)4-8(9)14-6-17-15(22-14)7-1-2-10(18)11(19)3-7/h1-6,18-21H
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224n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170561
PNG
(US9085549, 72)
Show SMILES Oc1ccc(cc1O)-c1nnc(s1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H10N2O4S/c17-9-3-1-7(5-11(9)19)13-15-16-14(21-13)8-2-4-10(18)12(20)6-8/h1-6,17-20H
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270n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170547
PNG
(US9085549, 63)
Show SMILES Oc1ccc(cc1O)-c1ccc(s1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O5S/c17-10-2-1-8(5-11(10)18)14-3-4-15(22-14)9-6-12(19)16(21)13(20)7-9/h1-7,17-21H
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283n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170565
PNG
(US9085549, 83)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)-c1nnc(s1)-c1cc(OC(C)=O)c(OC(C)=O)cc1I
Show InChI InChI=1S/C22H17IN2O8S/c1-10(26)30-17-6-5-14(7-18(17)31-11(2)27)21-24-25-22(34-21)15-8-19(32-12(3)28)20(9-16(15)23)33-13(4)29/h5-9H,1-4H3
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330n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170563
PNG
(US9085549, 78)
Show SMILES Oc1ccc(cc1O)-c1ccc(s1)-c1cc(O)c(O)c(I)c1
Show InChI InChI=1S/C16H11IO4S/c17-10-5-9(7-13(20)16(10)21)15-4-3-14(22-15)8-1-2-11(18)12(19)6-8/h1-7,18-21H
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330n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170551
PNG
(US9085549, 55)
Show SMILES Oc1ccc(cc1O)-c1nnc(o1)-c1cc(O)c(O)cc1O
Show InChI InChI=1S/C14H10N2O6/c17-8-2-1-6(3-10(8)19)13-15-16-14(22-13)7-4-11(20)12(21)5-9(7)18/h1-5,17-21H
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370n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170557
PNG
(US9085549, 67)
Show SMILES Oc1ccc(cc1O)-c1nnc(o1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H10N2O5/c17-9-3-1-7(5-11(9)19)13-15-16-14(21-13)8-2-4-10(18)12(20)6-8/h1-6,17-20H
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466n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170555
PNG
(US9085549, 62)
Show SMILES Oc1ccc(cc1O)-c1ccc(Br)s1
Show InChI InChI=1S/C10H7BrO2S/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5,12-13H
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506n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170544
PNG
(US9085549, 79)
Show SMILES CCCC[Sn](CCCC)(CCCC)c1cnc(s1)-c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C13H10NO4S.3C4H9.Sn/c1-8(15)17-11-4-3-10(13-14-5-6-19-13)7-12(11)18-9(2)16;3*1-3-4-2;/h3-5,7H,1-2H3;3*1,3-4H2,2H3;
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537n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170566
PNG
(US9085549, 84)
Show SMILES Oc1ccc(cc1O)-c1cnc(o1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C15H10BrNO5/c16-9-5-13(21)12(20)4-8(9)15-17-6-14(22-15)7-1-2-10(18)11(19)3-7/h1-6,18-21H
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639n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170560
PNG
(US9085549, 70)
Show SMILES Oc1ccc(cc1O)-c1cnc(o1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H11NO5/c17-10-3-1-8(5-12(10)19)14-7-16-15(21-14)9-2-4-11(18)13(20)6-9/h1-7,17-20H
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659n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170558
PNG
(US9085549, 68)
Show SMILES Oc1ccc(cc1O)-c1cn(nn1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H11N3O4/c18-11-3-1-8(5-13(11)20)10-7-17(16-15-10)9-2-4-12(19)14(21)6-9/h1-7,18-21H
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697n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170543
PNG
(US9085549, 59)
Show SMILES Oc1ccc(cc1O)-c1cc(Br)c(s1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H11BrO4S/c17-10-7-15(8-1-3-11(18)13(20)5-8)22-16(10)9-2-4-12(19)14(21)6-9/h1-7,18-21H
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697n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170559
PNG
(US9085549, 69)
Show SMILES Oc1ccc(cc1O)-c1ncc(Br)s1
Show InChI InChI=1S/C9H6BrNO2S/c10-8-4-11-9(14-8)5-1-2-6(12)7(13)3-5/h1-4,12-13H
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765n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170549
PNG
(US9085549, 53)
Show SMILES Oc1ccc(NC(=O)c2cc(O)c(O)cc2Br)cc1O
Show InChI InChI=1S/C13H10BrNO5/c14-8-5-12(19)11(18)4-7(8)13(20)15-6-1-2-9(16)10(17)3-6/h1-5,16-19H,(H,15,20)
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813n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170571
PNG
(US9085549, 95)
Show SMILES Oc1ccc(cc1O)C(=O)\C=C\c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C15H11BrO5/c16-10-7-15(21)14(20)5-8(10)1-3-11(17)9-2-4-12(18)13(19)6-9/h1-7,18-21H/b3-1+
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890n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170568
PNG
(US9085549, 88)
Show SMILES Oc1cc(Cc2cc(O)c(O)cc2N([O-])=O)c(cc1O)N([O-])=O
Show InChI InChI=1S/C13H12N2O8/c16-10-2-6(8(14(20)21)4-12(10)18)1-7-3-11(17)13(19)5-9(7)15(22)23/h2-5,14-15H,1H2,(H4-2,16,17,18,19,20,21,22,23)/q-2
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970n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50157562
PNG
(1,3-bis(3,4-dihydroxyphenyl)prop-2-en-1-one | 3,3'...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H12O5/c16-11(10-3-6-13(18)15(20)8-10)4-1-9-2-5-12(17)14(19)7-9/h1-8,17-20H/b4-1+
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1.10E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170569
PNG
(US9085549, 89)
Show SMILES Oc1ccc(Cc2cc(O)c(O)cc2C#N)cc1O
Show InChI InChI=1S/C14H11NO4/c15-7-10-6-14(19)13(18)5-9(10)3-8-1-2-11(16)12(17)4-8/h1-2,4-6,16-19H,3H2
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US Patent
1.20E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170548
PNG
(US9085549, 52)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C13H10BrNO5/c14-7-4-11(18)12(19)5-8(7)15-13(20)6-1-2-9(16)10(17)3-6/h1-5,16-19H,(H,15,20)
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1.26E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170572
PNG
(US9085549, 96)
Show SMILES Oc1ccc(\C=C\C(=O)c2cc(O)c(O)cc2Br)cc1O
Show InChI InChI=1S/C15H11BrO5/c16-10-7-15(21)14(20)6-9(10)11(17)3-1-8-2-4-12(18)13(19)5-8/h1-7,18-21H/b3-1+
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1.35E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170550
PNG
(US9085549, 54)
Show SMILES Oc1ccc(cc1O)-c1nc2cc(O)c(O)cc2o1
Show InChI InChI=1S/C13H9NO5/c15-8-2-1-6(3-9(8)16)13-14-7-4-10(17)11(18)5-12(7)19-13/h1-5,15-18H
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1.64E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170570
PNG
(US9085549, 90)
Show SMILES Oc1ccc(Cc2cc(O)c(O)cc2N([O-])=O)cc1O
Show InChI InChI=1S/C13H12NO6/c15-10-2-1-7(4-11(10)16)3-8-5-12(17)13(18)6-9(8)14(19)20/h1-2,4-6,14H,3H2,(H4-,15,16,17,18,19,20)/q-1
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1.70E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170567
PNG
(US9085549, 87)
Show SMILES Oc1ccc(Cc2cc(O)c(O)cc2Br)cc1O
Show InChI InChI=1S/C13H11BrO4/c14-9-6-13(18)12(17)5-8(9)3-7-1-2-10(15)11(16)4-7/h1-2,4-6,15-18H,3H2
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2.00E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170554
PNG
(US9085549, 61)
Show SMILES Oc1ccc(cc1O)-c1cc(c(s1)-c1ccc(O)c(O)c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H16O6S/c23-15-4-1-11(7-18(15)26)14-10-21(12-2-5-16(24)19(27)8-12)29-22(14)13-3-6-17(25)20(28)9-13/h1-10,23-28H
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3.10E+3n/an/an/an/an/an/a7.4n/a



PROTEOTECH INC

US Patent


Assay Description
The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...


US Patent US9085549 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z9K
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103964
PNG
(CHEMBL3593932)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-
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2.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103961
PNG
(CHEMBL3593930)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C26H22N2O5/c1-32-24-15-12-19(16-25(24)33-2)17-27-23-9-4-3-7-21(23)22(26(27)29)8-5-6-18-10-13-20(14-11-18)28(30)31/h3-16H,17H2,1-2H3/b6-5+,22-8-
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3.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103936
PNG
(CHEMBL3593928)
Show SMILES COc1cccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
Show InChI InChI=1S/C25H20N2O4/c1-31-21-8-4-7-19(16-21)17-26-24-11-3-2-9-22(24)23(25(26)28)10-5-6-18-12-14-20(15-13-18)27(29)30/h2-16H,17H2,1H3/b6-5+,23-10-
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3.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104103
PNG
(CHEMBL3593911)
Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
Show InChI InChI=1S/C26H23N3O3/c1-27(2)21-14-10-19(11-15-21)6-5-8-24-23-7-3-4-9-25(23)28(26(24)30)18-20-12-16-22(17-13-20)29(31)32/h3-17H,18H2,1-2H3/b6-5+,24-8-
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4.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103979
PNG
(CHEMBL3593904)
Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ncccc23)cc1
Show InChI InChI=1S/C18H17N3O/c1-21(2)14-10-8-13(9-11-14)5-3-6-16-15-7-4-12-19-17(15)20-18(16)22/h3-12H,1-2H3,(H,19,20,22)/b5-3+,16-6-
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12n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103934
PNG
(CHEMBL3593926)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
Show InChI InChI=1S/C25H20N2O4/c1-31-21-15-11-19(12-16-21)17-26-24-8-3-2-6-22(24)23(25(26)28)7-4-5-18-9-13-20(14-10-18)27(29)30/h2-16H,17H2,1H3/b5-4+,23-7-
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13n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104109
PNG
(CHEMBL3593922)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H12N2O3/c20-17-15(14-5-1-2-7-16(14)18-17)6-3-4-12-8-10-13(11-9-12)19(21)22/h1-11H,(H,18,20)/b4-3+,15-6-
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15n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103932
PNG
(CHEMBL3593924)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H18N2O3/c27-24-22(11-6-9-18-13-15-20(16-14-18)26(28)29)21-10-4-5-12-23(21)25(24)17-19-7-2-1-3-8-19/h1-16H,17H2/b9-6+,22-11-
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25n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104145
PNG
(CHEMBL3593915)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
Show InChI InChI=1S/C26H25N3O2/c1-28(2)21-13-9-19(10-14-21)6-4-7-24-23-8-5-17-27-25(23)29(26(24)30)18-20-11-15-22(31-3)16-12-20/h4-17H,18H2,1-3H3/b6-4+,24-7-
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30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
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
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32.1n/an/an/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)


Article DOI: 10.1016/j.bmc.2012.06.023
BindingDB Entry DOI: 10.7270/Q25B03J1
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104059
PNG
(CHEMBL3593909)
Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N2O/c1-27(2)22-17-15-20(16-18-22)11-8-13-24-23-12-6-7-14-25(23)28(26(24)29)19-21-9-4-3-5-10-21/h3-18H,19H2,1-2H3/b11-8+,24-13-
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41n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103927
PNG
(CHEMBL3593903)
Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H18N2O/c1-21(2)15-12-10-14(11-13-15)6-5-8-17-16-7-3-4-9-18(16)20-19(17)22/h3-13H,1-2H3,(H,20,22)/b6-5+,17-8-
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41n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104144
PNG
(CHEMBL3593916)
Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(N)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H25N3O/c1-28(2)22-16-12-19(13-17-22)6-5-8-24-23-7-3-4-9-25(23)29(26(24)30)18-20-10-14-21(27)15-11-20/h3-17H,18,27H2,1-2H3/b6-5+,24-8-
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44n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104106
PNG
(CHEMBL3593913)
Show SMILES CCOC(=O)N1C(=O)\C(=C/C=C/c2ccc(cc2)N(C)C)c2ccccc12
Show InChI InChI=1S/C22H22N2O3/c1-4-27-22(26)24-20-11-6-5-9-18(20)19(21(24)25)10-7-8-16-12-14-17(15-13-16)23(2)3/h5-15H,4H2,1-3H3/b8-7+,19-10-
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45n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104116
PNG
(CHEMBL3593918)
Show SMILES Nc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H14N2O/c18-13-10-8-12(9-11-13)4-3-6-15-14-5-1-2-7-16(14)19-17(15)20/h1-11H,18H2,(H,19,20)/b4-3+,15-6-
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45n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
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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49n/an/an/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)


Article DOI: 10.1016/j.bmc.2012.06.023
BindingDB Entry DOI: 10.7270/Q25B03J1
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103963
PNG
(CHEMBL3593931)
Show SMILES COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C26H22N2O5/c1-32-24-15-12-19(16-25(24)33-2)17-27-23-9-4-3-7-21(23)22(26(27)29)8-5-6-18-10-13-20(14-11-18)28(30)31/h3-16H,17H2,1-2H3/b6-5+,22-8+
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53n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103980
PNG
(CHEMBL3593905)
Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccc(O)cc23)cc1
Show InChI InChI=1S/C19H18N2O2/c1-21(2)14-8-6-13(7-9-14)4-3-5-16-17-12-15(22)10-11-18(17)20-19(16)23/h3-12,22H,1-2H3,(H,20,23)/b4-3+,16-5-
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54n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104060
PNG
(CHEMBL3593910)
Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C27H26N2O2/c1-28(2)22-15-11-20(12-16-22)7-6-9-25-24-8-4-5-10-26(24)29(27(25)30)19-21-13-17-23(31-3)18-14-21/h4-18H,19H2,1-3H3/b7-6+,25-9-
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55n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
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