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USPatent US8877795

Compile data set for download or QSAR
Found 33 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 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138358
PNG
(US10278929, Compound 7 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138359
PNG
(US10278929, Compound 9 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM138360
PNG
(US10278929, Compound 10 | US11337935, Compound 10 ...)
Show SMILES CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:8|
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138361
PNG
(US8877795, Meclofenamic Acid)
Show SMILES Cc1ccc(O)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H12ClNO3/c1-8-6-7-11(17)13(12(8)15)16-10-5-3-2-4-9(10)14(18)19/h2-7,16-17H,1H3,(H,18,19)
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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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138362
PNG
(US8877795, 11)
Show SMILES O=C1C2C(Oc3[nH]c4ccccc4c3C2(C#N)C#N)c2ccccc12
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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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138363
PNG
(US10278929, Compound Ro-41-0960 | US11337935, Comp...)
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))		BDBM138364
PNG
(US10278929, Compound 12 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138365
PNG
(US10278929, Compound 14 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138366
PNG
(US10278929, Compound 15 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138367
PNG
(US10278929, Compound 16 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138368
PNG
(US10278929, Compound 17 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138369
PNG
(US10278929, Compound 18 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138370
PNG
(US10278929, Compound 19 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138372
PNG
(US10278929, Compound 20 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138373
PNG
(US10278929, Compound 21 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM50355116
PNG
(CHEMBL493923 | US10278929, Compound 22 | US1133793...)
Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14|
Show InChI InChI=1S/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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138374
PNG
(US10278929, Compound 23 | US11337935, Compound 23 ...)
Show SMILES CSC1=NSC2=NC(=O)\C(=C/c3cccc4ccccc34)C(=N)N12 |t:2,5|
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138375
PNG
(US10278929, Compound 24 | US11337935, Compound 24 ...)
Show SMILES CCOc1cc(cc(Br)c1OCc1ccccc1C)C1NC(CS1)C(O)=O
Show InChI InChI=1S/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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138376
PNG
(US10278929, Compound 25 | US11337935, Compound 25 ...)
Show SMILES Br[#6]-1=[#6]\[#6](-[#6]=[#6](Br)-[#6]-1=O)=[#7]/S(=O)(=O)c1ccccc1 |t:1,4|
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138377
PNG
(US10278929, Compound 26 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138378
PNG
(US10278929, Compound 27 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138379
PNG
(US10278929, Compound 28 | US11337935, Compound 28 ...)
Show SMILES CC1=C(CCC(O)=O)C(=O)N2C(Nc3ccccc23)C1C#N |c:1|
Show InChI InChI=1S/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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138380
PNG
(US10278929, Compound 29 | US11337935, Compound 29 ...)
Show SMILES COc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCc1ccccc1C |c:12,t:9|
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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138381
PNG
(US10278929, Compound 30 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138382
PNG
(US10278929, Compound 31 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))		BDBM138383
PNG
(US10278929, Compound 32 | US11337935, Compound 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 ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...

US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%