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Compile Data Set for Download or QSAR

Found 285 hits of ic50 for UniProtKB: P02766   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transthyretin


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl
Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
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n/an/a<0.169n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249474
PNG
(US10072016, Compound 77 | US9434727, 73 | US943472...)
Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)
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n/an/a 1.62n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249485
PNG
(US10072016, Compound 83 | US9434727, 83 | US977701...)
Show SMILES CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H19F5N4O2/c1-10(30)29-8-13-15(9-29)26-27-18(13)19(31)28-6-4-11(5-7-28)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-9H2,1H3,(H,26,27)
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n/an/a 4.85n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249481
PNG
(US10072016, Compound 79 | US9434727, 79 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c1C(F)(F)F
Show InChI InChI=1S/C23H26F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-8-9-30(12-14-4-5-14)13-19(17)28-29-21/h1-3,14-15H,4-13H2,(H,28,29)
PDB

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n/an/a 6.10n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl
Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
PDB

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n/an/a 7.41n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249534
PNG
(US10072016, Compound 132 | US9434727, 132 | US9777...)
Show SMILES Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F
Show InChI InChI=1S/C20H14F5N5O/c21-13-7-14(17(15(22)8-13)20(23,24)25)12-3-5-29(6-4-12)19(31)18-28-27-16-2-1-11(9-26)10-30(16)18/h1-2,7-8,10,12H,3-6H2
PDB

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n/an/a 10.5n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249474
PNG
(US10072016, Compound 77 | US9434727, 73 | US943472...)
Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)
PDB

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n/an/a 10.6n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249564
PNG
(US10072016, Compound 162 | US9434727, 162 | US9777...)
Show SMILES FC(F)(F)c1c(Cl)cccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
Show InChI InChI=1S/C20H15ClF3N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
PDB

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n/an/a 10.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249533
PNG
(US10072016, Compound 131 | US9434727, 131 | US9777...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-7-4-14-17(10-30)27-28-19(14)20(32)29-5-2-12(3-6-29)15-8-13(22)9-16(23)18(15)21(24,25)26/h8-9,12H,2-7,10H2,1H3,(H,27,28)
PDB

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n/an/a 10.9n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249538
PNG
(US10072016, Compound 136 | US9434727, 136 | US9777...)
Show SMILES Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CCc12)C#N)C(F)(F)F
Show InChI InChI=1S/C20H18F5N5O/c21-12-7-14(17(15(22)8-12)20(23,24)25)11-1-5-30(6-2-11)19(31)18-13-3-4-29(10-26)9-16(13)27-28-18/h7-8,11H,1-6,9H2,(H,27,28)
PDB

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n/an/a 12n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
PDB

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n/an/a 12.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
PDB

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n/an/a 12.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
PDB

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n/an/a 12.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2
PDB

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n/an/a 12.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
PDB

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n/an/a 13.9n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249503
PNG
(US10072016, Compound 101 | US9434727, 101 | US9777...)
Show SMILES COC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H19F5N4O3/c1-32-19(31)29-8-12-14(9-29)26-27-17(12)18(30)28-6-4-10(5-7-28)11-2-3-13(21)16(22)15(11)20(23,24)25/h2-3,10H,4-9H2,1H3,(H,26,27)
PDB

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n/an/a 14.1n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249520
PNG
(US10072016, Compound 118 | US9434727, 118 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c(c1F)C(F)(F)F
Show InChI InChI=1S/C23H25F5N4O/c24-17-4-3-15(19(20(17)25)23(26,27)28)14-5-9-32(10-6-14)22(33)21-16-7-8-31(11-13-1-2-13)12-18(16)29-30-21/h3-4,13-14H,1-2,5-12H2,(H,29,30)
PDB

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n/an/a 14.2n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249486
PNG
(US10072016, Compound 84 | US9434727, 84 | US977701...)
Show SMILES CCC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H21F5N4O2/c1-2-16(31)30-9-13-15(10-30)27-28-19(13)20(32)29-7-5-11(6-8-29)12-3-4-14(22)18(23)17(12)21(24,25)26/h3-4,11H,2,5-10H2,1H3,(H,27,28)
PDB

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n/an/a 14.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249532
PNG
(US10072016, Compound 130 | US9434727, 130 | US9777...)
Show SMILES COC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O3/c1-33-20(32)30-7-4-13-16(10-30)27-28-18(13)19(31)29-5-2-11(3-6-29)14-8-12(22)9-15(23)17(14)21(24,25)26/h8-9,11H,2-7,10H2,1H3,(H,27,28)
PDB

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n/an/a 14.9n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
PDB

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n/an/a 15n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249482
PNG
(US10072016, Compound 81 | US9434727, 80 | US943472...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)
PDB

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n/an/a 15n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249512
PNG
(US10072016, Compound 110 | US9434727, 110 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C#N)c(c1F)C(F)(F)F
Show InChI InChI=1S/C19H16F5N5O/c20-13-2-1-11(15(16(13)21)19(22,23)24)10-3-5-29(6-4-10)18(30)17-12-7-28(9-25)8-14(12)26-27-17/h1-2,10H,3-8H2,(H,26,27)
PDB

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n/an/a 15.4n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249480
PNG
(US10072016, Compound 78 | US9434727, 78 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c1C(F)(F)F
Show InChI InChI=1S/C22H24F4N4O2/c23-17-3-1-2-15(19(17)22(24,25)26)13-4-7-29(8-5-13)21(31)20-16-6-9-30(14-11-32-12-14)10-18(16)27-28-20/h1-3,13-14H,4-12H2,(H,27,28)
PDB

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n/an/a 15.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249464
PNG
(US10072016, Compound 63 | US9434727, 63 | US977701...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O2/c1-12(30)29-10-7-15-17(11-29)26-27-19(15)20(31)28-8-5-13(6-9-28)14-3-2-4-16(22)18(14)21(23,24)25/h2-4,13H,5-11H2,1H3,(H,26,27)
PDB

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n/an/a 16n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249489
PNG
(US10072016, Compound 87 | US9434727, 87 | US977701...)
Show SMILES CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-16-14(11-29)19(28-27-16)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
PDB

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n/an/a 16.4n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249529
PNG
(US10072016, Compound 127 | US9434727, 127 | US9777...)
Show SMILES COCCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)cc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C22H25F5N4O2/c1-33-9-8-30-5-4-18-16(12-30)20(29-28-18)21(32)31-6-2-13(3-7-31)15-10-14(23)11-17(24)19(15)22(25,26)27/h10-11,13H,2-9,12H2,1H3,(H,28,29)
PDB

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n/an/a 17n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249490
PNG
(US10072016, Compound 88 | US9434727, 88 | US977701...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CC4CC4)Cc23)c(c1F)C(F)(F)F
Show InChI InChI=1S/C23H25F5N4O/c24-17-4-3-15(19(20(17)25)23(26,27)28)14-5-9-32(10-6-14)22(33)21-16-12-31(11-13-1-2-13)8-7-18(16)29-30-21/h3-4,13-14H,1-2,5-12H2,(H,29,30)
PDB

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n/an/a 18n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249531
PNG
(US10072016, Compound 129 | US9434727, 129 | US9777...)
Show SMILES Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CCN(CCC(F)(F)F)Cc12)C(F)(F)F
Show InChI InChI=1S/C22H22F8N4O/c23-13-9-14(18(16(24)10-13)22(28,29)30)12-1-6-34(7-2-12)20(35)19-15-11-33(8-4-21(25,26)27)5-3-17(15)31-32-19/h9-10,12H,1-8,11H2,(H,31,32)
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n/an/a 19.5n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249477
PNG
(US10072016, Compound 76 | US9434727, 76 | US977701...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCC(F)(F)F)CCc23)c1C(F)(F)F
Show InChI InChI=1S/C22H23F7N4O/c23-16-3-1-2-14(18(16)22(27,28)29)13-4-9-33(10-5-13)20(34)19-15-6-8-32(11-7-21(24,25)26)12-17(15)30-31-19/h1-3,13H,4-12H2,(H,30,31)
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n/an/a 19.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249562
PNG
(US10072016, Compound 160 | US9434727, 160 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-14-2-3-15(16(9-14)20(22,23)24)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2
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n/an/a 19.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249465
PNG
(US10072016, Compound 64 | US9434727, 64 | US977701...)
Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H22F4N4O3S/c1-32(30,31)28-10-7-16-14(11-28)18(26-25-16)19(29)27-8-5-12(6-9-27)13-3-2-4-15(21)17(13)20(22,23)24/h2-4,12H,5-11H2,1H3,(H,25,26)
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n/an/a 20.6n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249543
PNG
(US10072016, Compound 141 | US9434727, 141 | US9777...)
Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)ccc3C(F)(F)F)c2C1
Show InChI InChI=1S/C20H22F4N4O3S/c1-32(30,31)28-9-6-17-15(11-28)18(26-25-17)19(29)27-7-4-12(5-8-27)14-10-13(21)2-3-16(14)20(22,23)24/h2-3,10,12H,4-9,11H2,1H3,(H,25,26)
PDB

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n/an/a 20.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249537
PNG
(US10072016, Compound 135 | US9434727, 135 | US9777...)
Show SMILES Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CCc12)C1COC1)C(F)(F)F
Show InChI InChI=1S/C22H23F5N4O2/c23-13-7-16(19(17(24)8-13)22(25,26)27)12-1-4-30(5-2-12)21(32)20-15-3-6-31(14-10-33-11-14)9-18(15)28-29-20/h7-8,12,14H,1-6,9-11H2,(H,28,29)
PDB

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n/an/a 21n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249522
PNG
(US10072016, Compound 120 | US9434727, 120 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c(c1F)C(F)(F)F
Show InChI InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-5-6-29(10-26)9-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)
PDB

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n/an/a 21n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249506
PNG
(US10072016, Compound 104 | US9434727, 104 | US9777...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(Cc23)C(=O)c2cccnc2)c(c1F)C(F)(F)F
Show InChI InChI=1S/C24H20F5N5O2/c25-17-4-3-15(19(20(17)26)24(27,28)29)13-5-8-33(9-6-13)23(36)21-16-11-34(12-18(16)31-32-21)22(35)14-2-1-7-30-10-14/h1-4,7,10,13H,5-6,8-9,11-12H2,(H,31,32)
PDB

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n/an/a 21.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249542
PNG
(US10072016, Compound 140 | US9434727, 140 | US9777...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)ccc1C(F)(F)F
Show InChI InChI=1S/C21H22F4N4O2/c1-12(30)29-9-6-15-18(11-29)26-27-19(15)20(31)28-7-4-13(5-8-28)16-10-14(22)2-3-17(16)21(23,24)25/h2-3,10,13H,4-9,11H2,1H3,(H,26,27)
PDB

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n/an/a 21.9n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US9434727, 111 | US9777...)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
PDB

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n/an/a 22.1n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249489
PNG
(US10072016, Compound 87 | US9434727, 87 | US977701...)
Show SMILES CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-16-14(11-29)19(28-27-16)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)
PDB

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n/an/a 22.2n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249487
PNG
(US10072016, Compound 85 | US9434727, 85 | US977701...)
Show SMILES CC(C)C(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C22H23F5N4O2/c1-11(2)20(32)31-9-14-16(10-31)28-29-19(14)21(33)30-7-5-12(6-8-30)13-3-4-15(23)18(24)17(13)22(25,26)27/h3-4,11-12H,5-10H2,1-2H3,(H,28,29)
PDB

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n/an/a 22.4n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249541
PNG
(US10072016, Compound 139 | US9434727, 139 | US9777...)
Show SMILES CNC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F
Show InChI InChI=1S/C21H22F5N5O2/c1-27-20(33)31-7-4-13-16(10-31)28-29-18(13)19(32)30-5-2-11(3-6-30)14-8-12(22)9-15(23)17(14)21(24,25)26/h8-9,11H,2-7,10H2,1H3,(H,27,33)(H,28,29)
PDB

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n/an/a 22.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249544
PNG
(US10072016, Compound 142 | US9434727, 142 | US9777...)
Show SMILES Fc1ccc(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-14-2-3-16(20(22,23)24)15(9-14)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2
PDB

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n/an/a 23.2n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249551
PNG
(US10072016, Compound 149 | US9434727, 149 | US9777...)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c1Cl
Show InChI InChI=1S/C21H24ClFN4O2/c22-19-15(2-1-3-17(19)23)13-4-7-26(8-5-13)21(28)20-16-6-9-27(14-11-29-12-14)10-18(16)24-25-20/h1-3,13-14H,4-12H2,(H,24,25)
PDB

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n/an/a 23.4n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249552
PNG
(US10072016, Compound 150 | US9434727, 150 | US9777...)
Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1Cl
Show InChI InChI=1S/C20H22ClFN4O2/c1-12(27)26-10-7-15-17(11-26)23-24-19(15)20(28)25-8-5-13(6-9-25)14-3-2-4-16(22)18(14)21/h2-4,13H,5-11H2,1H3,(H,23,24)
PDB

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n/an/a 23.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249518
PNG
(US10072016, Compound 116 | US9434727, 116 | US9777...)
Show SMILES COC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F5N4O3/c1-33-20(32)30-9-6-13-15(10-30)27-28-18(13)19(31)29-7-4-11(5-8-29)12-2-3-14(22)17(23)16(12)21(24,25)26/h2-3,11H,4-10H2,1H3,(H,27,28)
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n/an/a 23.7n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249499
PNG
(US10072016, Compound 97 | US9434727, 97 | US977701...)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)Cc23)c(c1F)C(F)(F)F
Show InChI InChI=1S/C22H23F5N4O/c23-16-4-3-14(18(19(16)24)22(25,26)27)13-5-7-31(8-6-13)21(32)20-15-10-30(9-12-1-2-12)11-17(15)28-29-20/h3-4,12-13H,1-2,5-11H2,(H,28,29)
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n/an/a 24n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249539
PNG
(US10072016, Compound 137 | US9434727, 137 | US9777...)
Show SMILES Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1n[nH]c2CN(CC(F)(F)F)CCc12)C(F)(F)F
Show InChI InChI=1S/C21H20F8N4O/c22-12-7-14(17(15(23)8-12)21(27,28)29)11-1-5-33(6-2-11)19(34)18-13-3-4-32(10-20(24,25)26)9-16(13)30-31-18/h7-8,11H,1-6,9-10H2,(H,30,31)
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n/an/a 24.2n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249540
PNG
(US10072016, Compound 138 | US9434727, 138 | US9777...)
Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)cc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H21F5N4O3/c1-33-20(32)30-7-4-16-14(10-30)18(28-27-16)19(31)29-5-2-11(3-6-29)13-8-12(22)9-15(23)17(13)21(24,25)26/h8-9,11H,2-7,10H2,1H3,(H,27,28)
PDB

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n/an/a 24.4n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249526
PNG
(US10072016, Compound 124 | US9434727, 124 | US9777...)
Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C22H25F5N4O2/c1-33-11-10-30-7-6-15-17(12-30)28-29-20(15)21(32)31-8-4-13(5-9-31)14-2-3-16(23)19(24)18(14)22(25,26)27/h2-3,13H,4-12H2,1H3,(H,28,29)
PDB

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n/an/a 24.9n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249549
PNG
(US10072016, Compound 147 | US9434727, 147 | US9777...)
Show SMILES COC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1Cl
Show InChI InChI=1S/C20H22ClFN4O3/c1-29-20(28)26-10-7-14-16(11-26)23-24-18(14)19(27)25-8-5-12(6-9-25)13-3-2-4-15(22)17(13)21/h2-4,12H,5-11H2,1H3,(H,23,24)
PDB

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n/an/a 25.5n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249563
PNG
(US10072016, Compound 161 | US9434727, 161 | US9777...)
Show SMILES FC(F)(F)c1ccc(Cl)cc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
Show InChI InChI=1S/C20H15ClF3N5O/c21-14-2-3-16(20(22,23)24)15(9-14)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2
PDB

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n/an/a 25.8n/an/an/an/a7.425



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent




US Patent US10072016 (2018)


Article DOI: 10.1021/jm050333c
More data for this
Ligand-Target Pair
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