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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'nieto' and Initial = 'j'   
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
Transthyretin


(Homo sapiens (Human))
BDBM50301372
PNG
((E/Z)-3-(4-nitrophenylimino)indolin-2-one | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H9N3O3/c18-14-13(11-3-1-2-4-12(11)16-14)15-9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301374
PNG
(2,4,6-Triiodo-phenol | 2,4,6-Triiodo-phenol(TIP) |...)
Show SMILES Oc1c(I)cc(I)cc1I
Show InChI InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301373
PNG
((E/Z)-1-methyl-3-(4-nitrophenylimino)indolin-2-one...)
Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C15H11N3O3/c1-17-13-5-3-2-4-12(13)14(15(17)19)16-10-6-8-11(9-7-10)18(20)21/h2-9H,1H3/b16-14-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301380
PNG
((E/Z)-1-methyl-3-(p-tolylimino)indolin-2-one | CHE...)
Show SMILES CN1C(=O)\C(=N/c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3/b17-15-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM10304
PNG
(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
Show SMILES CN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301381
PNG
((E/Z)-3-(4-methoxyphenylimino)-1-methylindolin-2-o...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(C)c2ccccc12
Show InChI InChI=1S/C16H14N2O2/c1-18-14-6-4-3-5-13(14)15(16(18)19)17-11-7-9-12(20-2)10-8-11/h3-10H,1-2H3/b17-15-
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n/an/a 7.70E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50189601
PNG
((E)-3-(4-methoxyphenylimino)indolin-2-one | (E/Z)-...)
Show SMILES COc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50301377
PNG
((E/Z)-1-methyl-3-(phenylimino)indolin-2-one | CHEM...)
Show SMILES CN1C(=O)\C(=N/c2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O/c1-17-13-10-6-5-9-12(13)14(15(17)18)16-11-7-3-2-4-8-11/h2-10H,1H3/b16-14-
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301379
PNG
((E/Z)-3-(p-tolylimino)indolin-2-one | CHEMBL571380)
Show SMILES Cc1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301389
PNG
((E/Z)-5-bromo-3-(4-iodophenylimino)indolin-2-one |...)
Show SMILES Brc1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C14H8BrIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301388
PNG
((E/Z)-3-(4-iodophenylimino)-5-methylindolin-2-one ...)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C15H11IN2O/c1-9-2-7-13-12(8-9)14(15(19)18-13)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301382
PNG
((E/Z)-3-(4-methoxyphenylimino)-5-methylindolin-2-o...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C16H14N2O2/c1-10-3-8-14-13(9-10)15(16(19)18-14)17-11-4-6-12(20-2)7-5-11/h3-9H,1-2H3,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301383
PNG
((E/Z)-5-bromo-3-(4-methoxyphenylimino)indolin-2-on...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H11BrN2O2/c1-20-11-5-3-10(4-6-11)17-14-12-8-9(16)2-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301384
PNG
((E/Z)-5-iodo-3-(4-methoxyphenylimino)indolin-2-one...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(I)cc12
Show InChI InChI=1S/C15H11IN2O2/c1-20-11-5-3-10(4-6-11)17-14-12-8-9(16)2-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301385
PNG
((E/Z)-3-(4-methoxyphenylimino)-5-nitroindolin-2-on...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-11-5-2-9(3-6-11)16-14-12-8-10(18(20)21)4-7-13(12)17-15(14)19/h2-8H,1H3,(H,16,17,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301386
PNG
((E/Z)-3-(4-iodophenylimino)indolin-2-one | CHEMBL5...)
Show SMILES Ic1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H9IN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301387
PNG
((E/Z)-3-(4-iodophenylimino)-1-methylindolin-2-one ...)
Show SMILES CN1C(=O)\C(=N/c2ccc(I)cc2)c2ccccc12
Show InChI InChI=1S/C15H11IN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301376
PNG
((E/Z)-3-(4-iodophenylimino)-5-nitroindolin-2-one |...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C14H8IN3O3/c15-8-1-3-9(4-2-8)16-13-11-7-10(18(20)21)5-6-12(11)17-14(13)19/h1-7H,(H,16,17,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301390
PNG
((E/Z)-5-iodo-3-(4-iodophenylimino)indolin-2-one | ...)
Show SMILES Ic1ccc(cc1)\N=C1/C(=O)Nc2ccc(I)cc12
Show InChI InChI=1S/C14H8I2N2O/c15-8-1-4-10(5-2-8)17-13-11-7-9(16)3-6-12(11)18-14(13)19/h1-7H,(H,17,18,19)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50198047
PNG
((E/Z)-3-(phenylimino)indolin-2-one | 3-(phenylimin...)
Show SMILES O=C1Nc2ccccc2\C1=N\c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H,(H,15,16,17)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301378
PNG
((E/Z)-5-iodo-3-(phenylimino)indolin-2-one | CHEMBL...)
Show SMILES Ic1ccc2NC(=O)\C(=N/c3ccccc3)c2c1
Show InChI InChI=1S/C14H9IN2O/c15-9-6-7-12-11(8-9)13(14(18)17-12)16-10-4-2-1-3-5-10/h1-8H,(H,16,17,18)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair