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Patent code US10278929

Compile Data Set for Download or QSAR
Found 41 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
Transthyretin


(Homo sapiens (Human))
BDBM138357
PNG
(US10278929, Compound 6 | US8877795, 6)
Show SMILES COc1ccc(\C=N\n2c(S)nnc2C(F)(F)F)cc1O
Show InChI InChI=1S/C11H9F3N4O2S/c1-20-8-3-2-6(4-7(8)19)5-15-18-9(11(12,13)14)16-17-10(18)21/h2-5,19H,1H3,(H,17,21)/b15-5+
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n/an/a 277n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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n/an/a 289n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138358
PNG
(US10278929, Compound 7 | US8877795, 7)
Show SMILES Cc1n[nH]c(C)c1CCCOc1ccccc1F
Show InChI InChI=1S/C14H17FN2O/c1-10-12(11(2)17-16-10)6-5-9-18-14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17)
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n/an/a 296n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50308343
PNG
((Z)-5-(3,5-dibromo-4-methoxybenzylidene)thiazolidi...)
Show SMILES COc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1Br
Show InChI InChI=1S/C11H7Br2NO3S/c1-17-9-6(12)2-5(3-7(9)13)4-8-10(15)14-11(16)18-8/h2-4H,1H3,(H,14,15,16)/b8-4-
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n/an/a 301n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138359
PNG
(US10278929, Compound 9 | US8877795, 9)
Show SMILES CCOc1ccccc1-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O2/c1-2-19-13-6-4-3-5-12(13)15-17-14(18-20-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3
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n/an/a 329n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM138360
PNG
(US10278929, Compound 10 | US8877795, 10)
Show SMILES CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C14H14N2OS2/c1-14(2)16-12(17)11(8-15)13(19-14)18-9-10-6-4-3-5-7-10/h3-7H,9H2,1-2H3,(H,16,17)
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n/an/a 433n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM383181
PNG
(US10278929, Meclofenamic acid)
Show SMILES CC(=O)c1ccccc1Nc1c(O)ccc(C)c1Cl
Show InChI InChI=1S/C15H14ClNO2/c1-9-7-8-13(19)15(14(9)16)17-12-6-4-3-5-11(12)10(2)18/h3-8,17,19H,1-2H3
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n/an/a 504n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM58032
PNG
(2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13N3O2/c1-12-17(15-8-4-5-9-16(15)24-12)21(10-22,11-23)18-19(25)13-6-2-3-7-14(13)20(18)26/h2-9,18,24H,1H3
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n/an/a 586n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 653n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50017846
PNG
(3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
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n/an/a 741n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138363
PNG
(US10278929, Compound Ro-41-0960 | US8877795, Ro 41...)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F
Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
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n/an/a 755n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM138364
PNG
(US10278929, Compound 12 | US8877795, 12)
Show SMILES FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1
Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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n/an/a 815n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50334179
PNG
(5-(naphthalen-1-ylmethylene)thiazolidine-2,4-dione...)
Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc2ccccc12
Show InChI InChI=1S/C14H9NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17)/b12-8-
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n/an/a 842n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138365
PNG
(US10278929, Compound 14 | US8877795, 14)
Show SMILES CN1C(=N)NC(=O)\C1=C\c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C11H9Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,17H,1H3,(H2,14,15,18)/b8-4-
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n/an/a 1.15E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138366
PNG
(US10278929, Compound 15 | US8877795, 15)
Show SMILES Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1
Show InChI InChI=1S/C16H16N6S/c1-9-11(10(2)20-19-9)7-8-14-18-15-12-5-3-4-6-13(12)17-16(23)22(15)21-14/h3-6H,7-8H2,1-2H3,(H,17,23)(H,19,20)
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n/an/a 1.31E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138367
PNG
(US10278929, Compound 16 | US8877795, 16)
Show SMILES OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H6Cl2F3N3O2/c15-7-2-1-6(3-8(7)16)9-4-11(14(17,18)19)22-12(20-9)5-10(21-22)13(23)24/h1-5H,(H,23,24)
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n/an/a 2.59E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138368
PNG
(US10278929, Compound 17 | US8877795, 17)
Show SMILES COc1ccccc1CC(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C15H14O4/c1-19-15-5-3-2-4-10(15)8-13(17)12-7-6-11(16)9-14(12)18/h2-7,9,16,18H,8H2,1H3
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n/an/a 2.66E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138369
PNG
(US10278929, Compound 18 | US8877795, 18)
Show SMILES Cc1ccccc1\C=C1/SC(=O)NC1=O
Show InChI InChI=1S/C11H9NO2S/c1-7-4-2-3-5-8(7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-6-
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n/an/a 3.35E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138370
PNG
(US10278929, Compound 19 | US8877795, 19)
Show SMILES Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O
Show InChI InChI=1S/C15H9BrO4/c16-11-3-1-2-4-12(11)20-14-8-19-13-7-9(17)5-6-10(13)15(14)18/h1-8,17H
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n/an/a 3.71E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138371
PNG
(US10278929, Diclofenac | US8877795, Diclofenac)
Show SMILES OC(=O)Cc1ccccc1Nc1c(O)cccc1Cl
Show InChI InChI=1S/C14H12ClNO3/c15-10-5-3-7-12(17)14(10)16-11-6-2-1-4-9(11)8-13(18)19/h1-7,16-17H,8H2,(H,18,19)
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n/an/a 3.74E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138372
PNG
(US10278929, Compound 20 | US8877795, 20)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C15H8ClNO5S/c16-10-3-1-7(5-9(10)14(19)20)11-4-2-8(22-11)6-12-13(18)17-15(21)23-12/h1-6H,(H,19,20)(H,17,18,21)/b12-6-
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n/an/a 3.93E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138373
PNG
(US10278929, Compound 21 | US8877795, 21)
Show SMILES Oc1ccc2c(c1)oc(c(Oc1ccccc1Cl)c2=O)C(F)(F)F
Show InChI InChI=1S/C16H8ClF3O4/c17-10-3-1-2-4-11(10)23-14-13(22)9-6-5-8(21)7-12(9)24-15(14)16(18,19)20/h1-7,21H
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n/an/a 4.22E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50355116
PNG
(CHEMBL493923 | US10278929, Compound 22)
Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1/C18H14N2O2S2/c19-10-14-16(22)20-17(13-8-4-5-9-15(13)21)24-18(14)23-11-12-6-2-1-3-7-12/h1-9,17,21H,11H2,(H,20,22)
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n/an/a 4.79E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138374
PNG
(US10278929, Compound 23 | US8877795, 23)
Show SMILES CSC1=NSC2=NC(=O)\C(=C/c3cccc4ccccc34)C(=N)N12
Show InChI InChI=1S/C17H12N4OS2/c1-23-17-20-24-16-19-15(22)13(14(18)21(16)17)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9,18H,1H3/b13-9-,18-14?
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n/an/a 4.88E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138375
PNG
(US10278929, Compound 24 | US8877795, 24)
Show SMILES CCOc1cc(cc(Br)c1OCc1ccccc1C)C1NC(CS1)C(O)=O
Show InChI InChI=1/C20H22BrNO4S/c1-3-25-17-9-14(19-22-16(11-27-19)20(23)24)8-15(21)18(17)26-10-13-7-5-4-6-12(13)2/h4-9,16,19,22H,3,10-11H2,1-2H3,(H,23,24)
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n/an/a 4.93E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138376
PNG
(US10278929, Compound 25 | US8877795, 25)
Show SMILES BrC1=CC(C=C(Br)C1=O)=NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H7Br2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7H
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n/an/a 5.41E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138377
PNG
(US10278929, Compound 26 | US8877795, 26)
Show SMILES Oc1nc(O)c2sc3nc(cc(Cc4ccccc4)c3c2n1)C(F)(F)F
Show InChI InChI=1S/C17H10F3N3O2S/c18-17(19,20)10-7-9(6-8-4-2-1-3-5-8)11-12-13(26-15(11)21-10)14(24)23-16(25)22-12/h1-5,7H,6H2,(H2,22,23,24,25)
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n/an/a 5.60E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138378
PNG
(US10278929, Compound 27 | US8877795, 27)
Show SMILES O=C1NC(=O)\C(S1)=C\c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C17H13NO3S/c19-16-15(22-17(20)18-16)10-13-8-4-5-9-14(13)21-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19,20)/b15-10-
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n/an/a 5.80E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138379
PNG
(US10278929, Compound 28 | US8877795, 28)
Show SMILES CC1=C(CCC(O)=O)C(=O)N2C(Nc3ccccc23)C1C#N
Show InChI InChI=1/C16H15N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,11,15,18H,6-7H2,1H3,(H,20,21)
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n/an/a 8.69E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138380
PNG
(US10278929, Compound 29 | US8877795, 29)
Show SMILES COc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCc1ccccc1C
Show InChI InChI=1S/C22H20N4O5S2/c1-13-6-4-5-7-15(13)12-31-17-9-8-14(11-18(17)30-2)10-16-19(23)26-21(24-20(16)27)32-22(25-26)33(3,28)29/h4-11,23H,12H2,1-3H3/b16-10+,23-19?
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n/an/a 9.76E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138381
PNG
(US10278929, Compound 30 | US8877795, 30)
Show SMILES Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1
Show InChI InChI=1S/C14H11Br2NO2/c15-11-6-10(13(18)12(16)7-11)8-17-14(19)9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138382
PNG
(US10278929, Compound 31 | US8877795, 31)
Show SMILES CC(=O)Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H21N5O3S/c1-15-7-13-19(14-8-15)32(30,31)28-23-22(26-20-5-3-4-6-21(20)27-23)25-18-11-9-17(10-12-18)24-16(2)29/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138383
PNG
(US10278929, Compound 32 | US8877795, 32)
Show SMILES CC(C)CCNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12
Show InChI InChI=1S/C20H23FN4O2/c1-12(2)8-9-22-19(26)16-11-23-25-18(16)24-13(3)15(20(25)27)10-14-6-4-5-7-17(14)21/h4-7,11-12,27H,8-10H2,1-3H3,(H,22,26)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the ...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM383209
PNG
(US10278929, Compound 5)
Show SMILES OC(=O)c1ccccc1Nc1cc(Cl)c(OCCOCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)c(Cl)c1
Show InChI InChI=1S/C40H33Cl2N3O10S/c41-31-18-23(44-33-4-2-1-3-26(33)37(48)49)19-32(42)36(31)53-16-15-52-14-13-51-12-11-43-39(56)45-22-5-8-28-27(17-22)38(50)55-40(28)29-9-6-24(46)20-34(29)54-35-21-25(47)7-10-30(35)40/h1-10,17-21,44,46-47H,11-16H2,(H,48,49)(H2,43,45,56)
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n/an/an/a 820n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138358
PNG
(US10278929, Compound 7 | US8877795, 7)
Show SMILES Cc1n[nH]c(C)c1CCCOc1ccccc1F
Show InChI InChI=1S/C14H17FN2O/c1-10-12(11(2)17-16-10)6-5-9-18-14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17)
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n/an/an/a 320n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM383210
PNG
(US10278929, Compound 1)
Show SMILES OC(=O)c1ccc(cc1)-c1c(F)cccc1F
Show InChI InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17)
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n/an/an/a 72.5n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM138365
PNG
(US10278929, Compound 14 | US8877795, 14)
Show SMILES CN1C(=N)NC(=O)\C1=C\c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C11H9Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,17H,1H3,(H2,14,15,18)/b8-4-
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n/an/an/a 245n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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n/an/an/a 592n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM383208
PNG
(US10278929, Compound 4)
Show SMILES [NH3+]CCOCCOCCOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl
Show InChI InChI=1S/C19H22Cl2N2O5/c20-15-11-13(23-17-4-2-1-3-14(17)19(24)25)12-16(21)18(15)28-10-9-27-8-7-26-6-5-22/h1-4,11-12,23H,5-10,22H2,(H,24,25)/p+1
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n/an/an/a 285n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138371
PNG
(US10278929, Diclofenac | US8877795, Diclofenac)
Show SMILES OC(=O)Cc1ccccc1Nc1c(O)cccc1Cl
Show InChI InChI=1S/C14H12ClNO3/c15-10-5-3-7-12(17)14(10)16-11-6-2-1-4-9(11)8-13(18)19/h1-7,16-17H,8H2,(H,18,19)
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n/an/an/a 370n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138363
PNG
(US10278929, Compound Ro-41-0960 | US8877795, Ro 41...)
Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F
Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H
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n/an/an/a 184n/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...


US Patent US10278929 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%