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Patent code US10072016

Compile Data Set for Download or QSAR

Found 247 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))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148)
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/an/an/a



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249485
PNG
(US10072016, Compound 83 | US9434727, 83)
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<1.37n/an/an/an/an/an/a



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249469
PNG
(US10072016, Compound 68 | US9434727, 68)
Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148)
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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

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/an/an/a



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249554
PNG
(US10072016, Compound 152 | US9434727, 152)
Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1Cl
Show InChI InChI=1S/C19H15ClFN5O/c20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18/h1-5,11,13H,6-9H2
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249522
PNG
(US10072016, Compound 120 | US9434727, 120)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249481
PNG
(US10072016, Compound 79 | US9434727, 79)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249464
PNG
(US10072016, Compound 63 | US9434727, 63)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249564
PNG
(US10072016, Compound 162 | US9434727, 162)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249552
PNG
(US10072016, Compound 150 | US9434727, 150)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249485
PNG
(US10072016, Compound 83 | US9434727, 83)
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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249544
PNG
(US10072016, Compound 142 | US9434727, 142)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148)
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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249543
PNG
(US10072016, Compound 141 | US9434727, 141)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249465
PNG
(US10072016, Compound 64 | US9434727, 64)
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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249466
PNG
(US10072016, Compound 65 | US9434727, 65)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249519
PNG
(US10072016, Compound 117 | US9434727, 117)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c(c1F)C(F)(F)F
Show InChI InChI=1S/C22H23F5N4O2/c23-16-2-1-14(18(19(16)24)22(25,26)27)12-3-6-30(7-4-12)21(32)20-15-5-8-31(13-10-33-11-13)9-17(15)28-29-20/h1-2,12-13H,3-11H2,(H,28,29)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249563
PNG
(US10072016, Compound 161 | US9434727, 161)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249559
PNG
(US10072016, Compound 157 | US9434727, 157)
Show SMILES Fc1cccc(c1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(20(22,23)24)17(15)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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249551
PNG
(US10072016, Compound 149 | US9434727, 149)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249481
PNG
(US10072016, Compound 79 | US9434727, 79)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249546
PNG
(US10072016, Compound 144 | US9434727, 144)
Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)ccc3Cl)c2C1
Show InChI InChI=1S/C19H22ClFN4O3S/c1-29(27,28)25-9-6-17-15(11-25)18(23-22-17)19(26)24-7-4-12(5-8-24)14-10-13(21)2-3-16(14)20/h2-3,10,12H,4-9,11H2,1H3,(H,22,23)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249533
PNG
(US10072016, Compound 131 | US9434727, 131)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249534
PNG
(US10072016, Compound 132 | US9434727, 132)
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
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249513
PNG
(US10072016, Compound 111 | US9434727, 111)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249476
PNG
(US10072016, Compound 75 | US9434727, 75)
Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C21H24F4N4O/c1-2-28-9-8-15-17(12-28)26-27-19(15)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25/h3-5,13H,2,6-12H2,1H3,(H,26,27)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249496
PNG
(US10072016, Compound 94 | US9434727, 94)
Show SMILES COCCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C22H25F5N4O2/c1-33-11-10-30-7-6-17-15(12-30)20(29-28-17)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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249493
PNG
(US10072016, Compound 91 | US9434727, 91)
Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H21F5N4O3/c1-33-20(32)30-9-6-15-13(10-30)18(28-27-15)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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249477
PNG
(US10072016, Compound 76 | US9434727, 76)
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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM249550
PNG
(US10072016, Compound 148 | US9434727, 148)
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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249503
PNG
(US10072016, Compound 101 | US9434727, 101)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249467
PNG
(US10072016, Compound 66 | US9434727, 66)
Show SMILES CNC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F
Show InChI InChI=1S/C21H23F4N5O2/c1-26-20(32)30-10-7-14-16(11-30)27-28-18(14)19(31)29-8-5-12(6-9-29)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,32)(H,27,28)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249547
PNG
(US10072016, Compound 145 | US9434727, 145)
Show SMILES Fc1ccc(Cl)c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
Show InChI InChI=1S/C19H15ClFN5O/c20-16-3-2-14(21)9-15(16)13-5-7-25(8-6-13)19(27)18-24-23-17-4-1-12(10-22)11-26(17)18/h1-4,9,11,13H,5-8H2
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249497
PNG
(US10072016, Compound 95 | US9434727, 95)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)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)18-13-9-29(10-26)6-5-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249489
PNG
(US10072016, Compound 87 | US9434727, 87)
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)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249495
PNG
(US10072016, Compound 93 | US9434727, 93)
Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CCC(F)(F)F)Cc23)c(c1F)C(F)(F)F
Show InChI InChI=1S/C22H22F8N4O/c23-15-2-1-13(17(18(15)24)22(28,29)30)12-3-8-34(9-4-12)20(35)19-14-11-33(10-6-21(25,26)27)7-5-16(14)31-32-19/h1-2,12H,3-11H2,(H,31,32)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249561
PNG
(US10072016, Compound 159 | US9434727, 159)
Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)cc3C(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)14-3-2-13(21)10-16(14)20(22,23)24/h2-3,10,12H,4-9,11H2,1H3,(H,25,26)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249468
PNG
(US10072016, Compound 67 | US9434727, 67)
Show SMILES CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1
Show InChI InChI=1S/C21H24F4N4O/c1-2-28-9-8-17-15(12-28)19(27-26-17)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25/h3-5,13H,2,6-12H2,1H3,(H,26,27)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(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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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
Retinol-binding protein 4


(Homo sapiens (Human))
BDBM249515
PNG
(US10072016, Compound 113 | US9434727, 113)
Show SMILES CN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F
Show InChI InChI=1S/C20H21F5N4O/c1-28-7-6-13-15(10-28)26-27-18(13)19(30)29-8-4-11(5-9-29)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-10H2,1H3,(H,26,27)
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THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

US Patent


Assay Description
Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...


US Patent US10072016 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%