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PubMed code 27190601

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177809
PNG
(CHEMBL3814631)
Show SMILES Nc1nc(NCc2ccc(Br)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 80n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177816
PNG
(CHEMBL3814270)
Show SMILES Nc1nc(NCc2cccc(Br)c2)c2ccccc2n1
Show InChI InChI=1S/C15H13BrN4/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 580n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177818
PNG
(CHEMBL3813811)
Show SMILES Nc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 620n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177789
PNG
(CHEMBL3815148)
Show SMILES Nc1nc(NCc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 930n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177824
PNG
(CHEMBL3813788)
Show SMILES COc1ccc(CNc2nc(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177788
PNG
(CHEMBL3814125)
Show SMILES Nc1nc(NCc2cccc(Br)c2)nc2ccccc12
Show InChI InChI=1S/C15H13BrN4/c16-11-5-3-4-10(8-11)9-18-15-19-13-7-2-1-6-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177787
PNG
(CHEMBL3814001)
Show SMILES Nc1nc(NCc2ccc(Br)cc2)nc2ccccc12
Show InChI InChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)9-18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177787
PNG
(CHEMBL3814001)
Show SMILES Nc1nc(NCc2ccc(Br)cc2)nc2ccccc12
Show InChI InChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)9-18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177821
PNG
(CHEMBL3814660)
Show SMILES Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-7-5-10(6-8-11)9-21-14-12-3-1-2-4-13(12)22-15(20)23-14/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177820
PNG
(CHEMBL3814383)
Show SMILES Nc1nc(NCc2cccc(Cl)c2)c2ccccc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177799
PNG
(CHEMBL3814134)
Show SMILES Nc1nc(NCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C15H14N4/c16-14-12-8-4-5-9-13(12)18-15(19-14)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177791
PNG
(CHEMBL3814611)
Show SMILES Nc1nc(NCc2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-7-5-10(6-8-11)9-21-15-22-13-4-2-1-3-12(13)14(20)23-15/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177788
PNG
(CHEMBL3814125)
Show SMILES Nc1nc(NCc2cccc(Br)c2)nc2ccccc12
Show InChI InChI=1S/C15H13BrN4/c16-11-5-3-4-10(8-11)9-18-15-19-13-7-2-1-6-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177808
PNG
(CHEMBL3814748)
Show SMILES Nc1nc(NCc2cccc(F)c2)c2ccccc2n1
Show InChI InChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177800
PNG
(CHEBI:82427 | ORANGE G SODIUM)
Show SMILES [Na+].[Na+].Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177807
PNG
(CHEMBL3357256)
Show SMILES Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H13FN4/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177823
PNG
(CHEMBL3814349)
Show SMILES Nc1nc(NCc2cccc(c2)C(F)(F)F)c2ccccc2n1
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-5-3-4-10(8-11)9-21-14-12-6-1-2-7-13(12)22-15(20)23-14/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177831
PNG
(CHEMBL3814363)
Show SMILES Cc1cccc(CNc2nc(N)nc3ccccc23)c1
Show InChI InChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-15-13-7-2-3-8-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177828
PNG
(CHEMBL3813971)
Show SMILES Cc1ccc(CNc2nc(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H16N4/c1-11-6-8-12(9-7-11)10-18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177832
PNG
(CHEMBL3815078)
Show SMILES Nc1nc(NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177791
PNG
(CHEMBL3814611)
Show SMILES Nc1nc(NCc2ccc(cc2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-7-5-10(6-8-11)9-21-15-22-13-4-2-1-3-12(13)14(20)23-15/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177790
PNG
(CHEMBL3814191)
Show SMILES Nc1nc(NCc2cccc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C15H13ClN4/c16-11-5-3-4-10(8-11)9-18-15-19-13-7-2-1-6-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177793
PNG
(CHEMBL3814909)
Show SMILES COc1ccc(CNc2nc(N)c3ccccc3n2)cc1
Show InChI InChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-18-16-19-14-5-3-2-4-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177805
PNG
(CHEMBL3814123)
Show SMILES Nc1nc(NCCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C16H16N4/c17-16-19-14-9-5-4-8-13(14)15(20-16)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177789
PNG
(CHEMBL3815148)
Show SMILES Nc1nc(NCc2ccc(Cl)cc2)nc2ccccc12
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177799
PNG
(CHEMBL3814134)
Show SMILES Nc1nc(NCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C15H14N4/c16-14-12-8-4-5-9-13(12)18-15(19-14)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177800
PNG
(CHEBI:82427 | ORANGE G SODIUM)
Show SMILES [Na+].[Na+].Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177839
PNG
(CHEMBL3814965)
Show SMILES CC(C)Nc1nc(N)nc2ccccc12
Show InChI InChI=1S/C11H14N4/c1-7(2)13-10-8-5-3-4-6-9(8)14-11(12)15-10/h3-7H,1-2H3,(H3,12,13,14,15)
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177786
PNG
(CHEMBL3813837)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2ccccc12
Show InChI InChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-15-19-13-7-2-1-6-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177792
PNG
(CHEMBL3815150)
Show SMILES Nc1nc(NCc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-5-3-4-10(8-11)9-21-15-22-13-7-2-1-6-12(13)14(20)23-15/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177795
PNG
(CHEMBL3813859)
Show SMILES Cc1ccc(CNc2nc(N)c3ccccc3n2)cc1
Show InChI InChI=1S/C16H16N4/c1-11-6-8-12(9-7-11)10-18-16-19-14-5-3-2-4-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177790
PNG
(CHEMBL3814191)
Show SMILES Nc1nc(NCc2cccc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C15H13ClN4/c16-11-5-3-4-10(8-11)9-18-15-19-13-7-2-1-6-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.34E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177801
PNG
(CHEMBL3815002)
Show SMILES Nc1nc(NCC2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C15H20N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H3,16,17,18,19)
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177792
PNG
(CHEMBL3815150)
Show SMILES Nc1nc(NCc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-5-3-4-10(8-11)9-21-15-22-13-7-2-1-6-12(13)14(20)23-15/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 1.38E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177786
PNG
(CHEMBL3813837)
Show SMILES Nc1nc(NCc2cccc(F)c2)nc2ccccc12
Show InChI InChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-15-19-13-7-2-1-6-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.47E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177809
PNG
(CHEMBL3814631)
Show SMILES Nc1nc(NCc2ccc(Br)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H13BrN4/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 1.48E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177840
PNG
(CHEMBL3814813)
Show SMILES CCCNc1nc(N)nc2ccccc12
Show InChI InChI=1S/C11H14N4/c1-2-7-13-10-8-5-3-4-6-9(8)14-11(12)15-10/h3-6H,2,7H2,1H3,(H3,12,13,14,15)
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177784
PNG
(CHEMBL3814610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H16N4/c17-15-13-8-4-5-9-14(13)19-16(20-15)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20)
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177843
PNG
(CHEMBL3814429)
Show SMILES COc1cccc(CNc2nc(N)nc3ccccc23)c1
Show InChI InChI=1S/C16H16N4O/c1-21-12-6-4-5-11(9-12)10-18-15-13-7-2-3-8-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 2.06E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177823
PNG
(CHEMBL3814349)
Show SMILES Nc1nc(NCc2cccc(c2)C(F)(F)F)c2ccccc2n1
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-5-3-4-10(8-11)9-21-14-12-6-1-2-7-13(12)22-15(20)23-14/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177816
PNG
(CHEMBL3814270)
Show SMILES Nc1nc(NCc2cccc(Br)c2)c2ccccc2n1
Show InChI InChI=1S/C15H13BrN4/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a 2.23E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177795
PNG
(CHEMBL3813859)
Show SMILES Cc1ccc(CNc2nc(N)c3ccccc3n2)cc1
Show InChI InChI=1S/C16H16N4/c1-11-6-8-12(9-7-11)10-18-16-19-14-5-3-2-4-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a 2.25E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177783
PNG
(CHEMBL3814981)
Show SMILES CCCNc1nc(N)c2ccccc2n1
Show InChI InChI=1S/C11H14N4/c1-2-7-13-11-14-9-6-4-3-5-8(9)10(12)15-11/h3-6H,2,7H2,1H3,(H3,12,13,14,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177831
PNG
(CHEMBL3814363)
Show SMILES Cc1cccc(CNc2nc(N)nc3ccccc23)c1
Show InChI InChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-15-13-7-2-3-8-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177832
PNG
(CHEMBL3815078)
Show SMILES Nc1nc(NCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177781
PNG
(CHEMBL3814397)
Show SMILES Nc1nc(NCC2CCCCC2)nc2ccccc12
Show InChI InChI=1S/C15H20N4/c16-14-12-8-4-5-9-13(12)18-15(19-14)17-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H3,16,17,18,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177794
PNG
(CHEMBL3814324)
Show SMILES COc1cccc(CNc2nc(N)c3ccccc3n2)c1
Show InChI InChI=1S/C16H16N4O/c1-21-12-6-4-5-11(9-12)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177781
PNG
(CHEMBL3814397)
Show SMILES Nc1nc(NCC2CCCCC2)nc2ccccc12
Show InChI InChI=1S/C15H20N4/c16-14-12-8-4-5-9-13(12)18-15(19-14)17-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H3,16,17,18,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177805
PNG
(CHEMBL3814123)
Show SMILES Nc1nc(NCCc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C16H16N4/c17-16-19-14-9-5-4-8-13(14)15(20-16)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177808
PNG
(CHEMBL3814748)
Show SMILES Nc1nc(NCc2cccc(F)c2)c2ccccc2n1
Show InChI InChI=1S/C15H13FN4/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177820
PNG
(CHEMBL3814383)
Show SMILES Nc1nc(NCc2cccc(Cl)c2)c2ccccc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177783
PNG
(CHEMBL3814981)
Show SMILES CCCNc1nc(N)c2ccccc2n1
Show InChI InChI=1S/C11H14N4/c1-2-7-13-11-14-9-6-4-3-5-8(9)10(12)15-11/h3-6H,2,7H2,1H3,(H3,12,13,14,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177821
PNG
(CHEMBL3814660)
Show SMILES Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1
Show InChI InChI=1S/C16H13F3N4/c17-16(18,19)11-7-5-10(6-8-11)9-21-14-12-3-1-2-4-13(12)22-15(20)23-14/h1-8H,9H2,(H3,20,21,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177824
PNG
(CHEMBL3813788)
Show SMILES COc1ccc(CNc2nc(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177784
PNG
(CHEMBL3814610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H16N4/c17-15-13-8-4-5-9-14(13)19-16(20-15)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177801
PNG
(CHEMBL3815002)
Show SMILES Nc1nc(NCC2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C15H20N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H3,16,17,18,19)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177796
PNG
(CHEMBL3814103)
Show SMILES Cc1cccc(CNc2nc(N)c3ccccc3n2)c1
Show InChI InChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177782
PNG
(CHEMBL3815140)
Show SMILES CC(C)Nc1nc(N)c2ccccc2n1
Show InChI InChI=1S/C11H14N4/c1-7(2)13-11-14-9-6-4-3-5-8(9)10(12)15-11/h3-7H,1-2H3,(H3,12,13,14,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177793
PNG
(CHEMBL3814909)
Show SMILES COc1ccc(CNc2nc(N)c3ccccc3n2)cc1
Show InChI InChI=1S/C16H16N4O/c1-21-12-8-6-11(7-9-12)10-18-16-19-14-5-3-2-4-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177794
PNG
(CHEMBL3814324)
Show SMILES COc1cccc(CNc2nc(N)c3ccccc3n2)c1
Show InChI InChI=1S/C16H16N4O/c1-21-12-6-4-5-11(9-12)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177818
PNG
(CHEMBL3813811)
Show SMILES Nc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177782
PNG
(CHEMBL3815140)
Show SMILES CC(C)Nc1nc(N)c2ccccc2n1
Show InChI InChI=1S/C11H14N4/c1-7(2)13-11-14-9-6-4-3-5-8(9)10(12)15-11/h3-7H,1-2H3,(H3,12,13,14,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177785
PNG
(CHEMBL3814189)
Show SMILES Nc1nc(NCc2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C15H13FN4/c16-11-7-5-10(6-8-11)9-18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177785
PNG
(CHEMBL3814189)
Show SMILES Nc1nc(NCc2ccc(F)cc2)nc2ccccc12
Show InChI InChI=1S/C15H13FN4/c16-11-7-5-10(6-8-11)9-18-15-19-13-4-2-1-3-12(13)14(17)20-15/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177796
PNG
(CHEMBL3814103)
Show SMILES Cc1cccc(CNc2nc(N)c3ccccc3n2)c1
Show InChI InChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177807
PNG
(CHEMBL3357256)
Show SMILES Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H13FN4/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(17)20-14/h1-8H,9H2,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50177828
PNG
(CHEMBL3813971)
Show SMILES Cc1ccc(CNc2nc(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H16N4/c1-11-6-8-12(9-7-11)10-18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,10H2,1H3,(H3,17,18,19,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%