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PubMed code 26517152

Compile data set for download or QSAR
Found 28 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))		BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 7.19E+4n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499718
PNG
(CHEMBL3740688)
Show SMILES [H][C@@]12C[C@]34CCC(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|
Show InChI InChI=1S/C27H31N3O4/c1-23(2)10-8-15-17(34-23)7-6-16-20(15)28-21(32)27(16)13-26-14-30-19(31)9-11-25(30,22(33)29(26)5)12-18(26)24(27,3)4/h6-8,10,18H,9,11-14H2,1-5H3,(H,28,32)/t18-,25-,26+,27+/m0/s1
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n/an/a 1.87E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499722
PNG
(CHEMBL3741300)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|
Show InChI InChI=1S/C28H35N3O3/c1-16-11-26-12-20-25(4,5)28(14-27(20,15-31(26)13-16)30(6)23(26)33)18-7-8-19-17(21(18)29-22(28)32)9-10-24(2,3)34-19/h7-10,16,20H,11-15H2,1-6H3,(H,29,32)/t16-,20+,26+,27-,28-/m1/s1
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n/an/a 2.04E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499715
PNG
(CHEMBL3740785)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)NC4=O |r,c:29,TLB:34:33:10.9:2.1|
Show InChI InChI=1S/C27H31N3O4/c1-14-10-26-11-18-24(4,5)27(12-25(18,29-21(26)32)13-30(26)20(14)31)16-6-7-17-15(19(16)28-22(27)33)8-9-23(2,3)34-17/h6-9,14,18H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,18+,25-,26+,27-/m1/s1
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n/an/a 2.44E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499721
PNG
(CHEMBL3739748)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)N(C)C4=O |r,c:28,TLB:35:34:8.9:1.2,THB:33:32:8.9:1.2|
Show InChI InChI=1S/C28H35N3O4/c1-16-11-26-12-19-25(4,5)28(14-27(19,15-31(26)13-16)30(6)23(26)33)17-7-8-18-21(20(17)29-22(28)32)34-10-9-24(2,3)35-18/h7-10,16,19H,11-15H2,1-6H3,(H,29,32)/t16-,19+,26+,27-,28-/m1/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499724
PNG
(CHEMBL3741682)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)NC4=O |r,c:29,TLB:35:34:9.10:2.1|
Show InChI InChI=1S/C27H31N3O5/c1-14-10-26-11-17-24(4,5)27(12-25(17,29-21(26)32)13-30(26)20(14)31)15-6-7-16-19(18(15)28-22(27)33)34-9-8-23(2,3)35-16/h6-9,14,17H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,17+,25-,26+,27-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499720
PNG
(CHEMBL469159)
Show SMILES CC1(C)Oc2ccc(cc2C=C1)C(O)=O |c:11|
Show InChI InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499716
PNG
(CHEMBL3741111)
Show SMILES [H][C@]12CC=C(C)[C@@]3(Cc4c(O3)c(C)c(C)oc4=O)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@@H](O)CC(=O)OC1(C)C |r,t:3|
Show InChI InChI=1S/C27H36O6/c1-14-8-9-19-25(6,27(14)13-17-22(33-27)15(2)16(3)31-23(17)30)11-10-18-24(4,5)32-21(29)12-20(28)26(18,19)7/h8,18-20,28H,9-13H2,1-7H3/t18-,19-,20-,25+,26-,27-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499723
PNG
(CHEMBL3742121)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:29,TLB:35:34:10.9:2.1,THB:33:32:10.9:2.1|
Show InChI InChI=1S/C28H33N3O4/c1-15-11-26-12-19-25(4,5)28(13-27(19,30(6)23(26)34)14-31(26)21(15)32)17-7-8-18-16(20(17)29-22(28)33)9-10-24(2,3)35-18/h7-10,15,19H,11-14H2,1-6H3,(H,29,33)/t15-,19+,26+,27-,28-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499714
PNG
(CHEMBL3742151)
Show SMILES [H][C@]12CC=C(C)[C@@]3(C[C@]4(OC(C)=C(C)C4=O)C(=O)O3)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O |r,t:3,11|
Show InChI InChI=1S/C29H38O8/c1-15-9-10-20-26(7,29(15)14-28(24(33)37-29)23(32)16(2)17(3)35-28)12-11-19-25(5,6)36-22(31)13-21(27(19,20)8)34-18(4)30/h9,19-21H,10-14H2,1-8H3/t19-,20-,21-,26+,27-,28+,29-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499719
PNG
(CHEMBL3741529)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3cc5OC=CC(C)(C)Oc5cc13)C2(C)C)N(C)C4=O |r,c:23,TLB:36:35:10.9:2.1,THB:34:33:10.9:2.1|
Show InChI InChI=1S/C28H33N3O5/c1-15-11-26-12-20-25(4,5)28(13-27(20,30(6)23(26)34)14-31(26)21(15)32)16-9-19-18(10-17(16)29-22(28)33)35-8-7-24(2,3)36-19/h7-10,15,20H,11-14H2,1-6H3,(H,29,33)/t15-,20+,26+,27-,28-/m1/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499717
PNG
(CHEMBL3739499)
Show SMILES [H][C@]12CC=C(C)[C@@]3(Cc4c(O3)c(C)c(C)oc4=O)[C@]1(C)CC[C@]1([H])[C@]2(C)C=CC(=O)OC1(C)C |r,c:30,t:3|
Show InChI InChI=1S/C27H34O5/c1-15-8-9-20-25(6)12-11-21(28)31-24(4,5)19(25)10-13-26(20,7)27(15)14-18-22(32-27)16(2)17(3)30-23(18)29/h8,11-12,19-20H,9-10,13-14H2,1-7H3/t19-,20+,25-,26+,27-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499715
PNG
(CHEMBL3740785)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)NC4=O |r,c:29,TLB:34:33:10.9:2.1|
Show InChI InChI=1S/C27H31N3O4/c1-14-10-26-11-18-24(4,5)27(12-25(18,29-21(26)32)13-30(26)20(14)31)16-6-7-17-15(19(16)28-22(27)33)8-9-23(2,3)34-17/h6-9,14,18H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,18+,25-,26+,27-/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/an/an/a 5.72E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499724
PNG
(CHEMBL3741682)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)NC4=O |r,c:29,TLB:35:34:9.10:2.1|
Show InChI InChI=1S/C27H31N3O5/c1-14-10-26-11-17-24(4,5)27(12-25(17,29-21(26)32)13-30(26)20(14)31)15-6-7-16-19(18(15)28-22(27)33)34-9-8-23(2,3)35-16/h6-9,14,17H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,17+,25-,26+,27-/m1/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499717
PNG
(CHEMBL3739499)
Show SMILES [H][C@]12CC=C(C)[C@@]3(Cc4c(O3)c(C)c(C)oc4=O)[C@]1(C)CC[C@]1([H])[C@]2(C)C=CC(=O)OC1(C)C |r,c:30,t:3|
Show InChI InChI=1S/C27H34O5/c1-15-8-9-20-25(6)12-11-21(28)31-24(4,5)19(25)10-13-26(20,7)27(15)14-18-22(32-27)16(2)17(3)30-23(18)29/h8,11-12,19-20H,9-10,13-14H2,1-7H3/t19-,20+,25-,26+,27-/m0/s1
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n/an/an/an/a 6.54E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499716
PNG
(CHEMBL3741111)
Show SMILES [H][C@]12CC=C(C)[C@@]3(Cc4c(O3)c(C)c(C)oc4=O)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@@H](O)CC(=O)OC1(C)C |r,t:3|
Show InChI InChI=1S/C27H36O6/c1-14-8-9-19-25(6,27(14)13-17-22(33-27)15(2)16(3)31-23(17)30)11-10-18-24(4,5)32-21(29)12-20(28)26(18,19)7/h8,18-20,28H,9-13H2,1-7H3/t18-,19-,20-,25+,26-,27-/m0/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499715
PNG
(CHEMBL3740785)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)NC4=O |r,c:29,TLB:34:33:10.9:2.1|
Show InChI InChI=1S/C27H31N3O4/c1-14-10-26-11-18-24(4,5)27(12-25(18,29-21(26)32)13-30(26)20(14)31)16-6-7-17-15(19(16)28-22(27)33)8-9-23(2,3)34-17/h6-9,14,18H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,18+,25-,26+,27-/m1/s1
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n/an/an/an/a 9.79E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499718
PNG
(CHEMBL3740688)
Show SMILES [H][C@@]12C[C@]34CCC(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|
Show InChI InChI=1S/C27H31N3O4/c1-23(2)10-8-15-17(34-23)7-6-16-20(15)28-21(32)27(16)13-26-14-30-19(31)9-11-25(30,22(33)29(26)5)12-18(26)24(27,3)4/h6-8,10,18H,9,11-14H2,1-5H3,(H,28,32)/t18-,25-,26+,27+/m0/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499718
PNG
(CHEMBL3740688)
Show SMILES [H][C@@]12C[C@]34CCC(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|
Show InChI InChI=1S/C27H31N3O4/c1-23(2)10-8-15-17(34-23)7-6-16-20(15)28-21(32)27(16)13-26-14-30-19(31)9-11-25(30,22(33)29(26)5)12-18(26)24(27,3)4/h6-8,10,18H,9,11-14H2,1-5H3,(H,28,32)/t18-,25-,26+,27+/m0/s1
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n/an/an/an/a 8.99E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499719
PNG
(CHEMBL3741529)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3cc5OC=CC(C)(C)Oc5cc13)C2(C)C)N(C)C4=O |r,c:23,TLB:36:35:10.9:2.1,THB:34:33:10.9:2.1|
Show InChI InChI=1S/C28H33N3O5/c1-15-11-26-12-20-25(4,5)28(13-27(20,30(6)23(26)34)14-31(26)21(15)32)16-9-19-18(10-17(16)29-22(28)33)35-8-7-24(2,3)36-19/h7-10,15,20H,11-14H2,1-6H3,(H,29,33)/t15-,20+,26+,27-,28-/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499714
PNG
(CHEMBL3742151)
Show SMILES [H][C@]12CC=C(C)[C@@]3(C[C@]4(OC(C)=C(C)C4=O)C(=O)O3)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O |r,t:3,11|
Show InChI InChI=1S/C29H38O8/c1-15-9-10-20-26(7,29(15)14-28(24(33)37-29)23(32)16(2)17(3)35-28)12-11-19-25(5,6)36-22(31)13-21(27(19,20)8)34-18(4)30/h9,19-21H,10-14H2,1-8H3/t19-,20-,21-,26+,27-,28+,29-/m0/s1
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n/an/an/an/a 1.13E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499722
PNG
(CHEMBL3741300)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:28,TLB:34:33:9.8:2.1,THB:32:31:9.8:2.1|
Show InChI InChI=1S/C28H35N3O3/c1-16-11-26-12-20-25(4,5)28(14-27(20,15-31(26)13-16)30(6)23(26)33)18-7-8-19-17(21(18)29-22(28)32)9-10-24(2,3)34-19/h7-10,16,20H,11-15H2,1-6H3,(H,29,32)/t16-,20+,26+,27-,28-/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499721
PNG
(CHEMBL3739748)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)N(C)C4=O |r,c:28,TLB:35:34:8.9:1.2,THB:33:32:8.9:1.2|
Show InChI InChI=1S/C28H35N3O4/c1-16-11-26-12-19-25(4,5)28(14-27(19,15-31(26)13-16)30(6)23(26)33)17-7-8-18-21(20(17)29-22(28)32)34-10-9-24(2,3)35-18/h7-10,16,19H,11-15H2,1-6H3,(H,29,32)/t16-,19+,26+,27-,28-/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499723
PNG
(CHEMBL3742121)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)C(=O)N3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=Cc31)C2(C)C)N(C)C4=O |r,c:29,TLB:35:34:10.9:2.1,THB:33:32:10.9:2.1|
Show InChI InChI=1S/C28H33N3O4/c1-15-11-26-12-19-25(4,5)28(13-27(19,30(6)23(26)34)14-31(26)21(15)32)17-7-8-18-16(20(17)29-22(28)33)9-10-24(2,3)35-18/h7-10,15,19H,11-14H2,1-6H3,(H,29,33)/t15-,19+,26+,27-,28-/m1/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499721
PNG
(CHEMBL3739748)
Show SMILES [H][C@@]12C[C@]34C[C@@H](C)CN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)N(C)C4=O |r,c:28,TLB:35:34:8.9:1.2,THB:33:32:8.9:1.2|
Show InChI InChI=1S/C28H35N3O4/c1-16-11-26-12-19-25(4,5)28(14-27(19,15-31(26)13-16)30(6)23(26)33)17-7-8-18-21(20(17)29-22(28)32)34-10-9-24(2,3)35-18/h7-10,16,19H,11-15H2,1-6H3,(H,29,32)/t16-,19+,26+,27-,28-/m1/s1
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n/an/an/an/a 1.05E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50499720
PNG
(CHEMBL469159)
Show SMILES CC1(C)Oc2ccc(cc2C=C1)C(O)=O |c:11|
Show InChI InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
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n/an/an/an/a 2.52E+5n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/an/an/a 6.81E+4n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloi...

J Nat Prod 78: 2572-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00508
BindingDB Entry DOI: 10.7270/Q29P34NM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%