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Patent code US11045448

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506357
PNG
(US11045448, Cpd. No. 66 | methyl ((1S,2R)-2-((S)-1...)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C44H59F2N7O5S/c1-5-40-47-20-24-51(40)31-44(33-9-6-10-34(45)25-33,38-11-7-12-39(38)48-42(55)58-4)32-18-22-50(23-19-32)28-43(46)29-53(30-43)35-14-16-36(17-15-35)59(56,57)37-26-52(27-37)41(54)13-8-21-49(2)3/h6,8-10,13-17,20,24-25,32,37-39H,5,7,11-12,18-19,21-23,26-31H2,1-4H3,(H,48,55)/b13-8+/t38-,39-,44-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506354
PNG
(US11045448, Cpd. No. 63 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)\C=C\CN(C)C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C42H51FN6O5S/c1-47(2)21-7-14-40(50)45-34-10-5-11-37(25-34)55(52,53)36-17-15-35(16-18-36)49-27-30(28-49)26-48-22-19-31(20-23-48)42(29-44,32-8-4-9-33(43)24-32)38-12-6-13-39(38)46-41(51)54-3/h4-5,7-11,14-18,24-25,30-31,38-39H,6,12-13,19-23,26-28H2,1-3H3,(H,45,50)(H,46,51)/b14-7+/t38-,39-,42-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506346
PNG
(US11045448, Cpd. No. 16 | methyl ((1S,2R)-2-((S)-1...)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C41H52F2N6O5S/c1-4-37-44-18-21-47(37)28-41(30-8-6-9-31(42)22-30,35-10-7-11-36(35)45-39(51)54-3)29-16-19-46(20-17-29)25-40(43)26-49(27-40)32-12-14-33(15-13-32)55(52,53)34-23-48(24-34)38(50)5-2/h5-6,8-9,12-15,18,21-22,29,34-36H,2,4,7,10-11,16-17,19-20,23-28H2,1,3H3,(H,45,51)/t35-,36-,41-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506364
PNG
(US11045448, Cpd. No. 73 | methyl ((1S,2R)-2-((S)-2...)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCCC2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C47H64FN7O5S/c1-3-44-49-21-27-53(44)34-47(37-10-7-11-38(48)28-37,42-12-8-13-43(42)50-46(57)60-2)36-19-25-52(26-20-36)29-35-30-54(31-35)39-15-17-40(18-16-39)61(58,59)41-32-55(33-41)45(56)14-9-24-51-22-5-4-6-23-51/h7,9-11,14-18,21,27-28,35-36,41-43H,3-6,8,12-13,19-20,22-26,29-34H2,1-2H3,(H,50,57)/b14-9+/t42-,43-,47-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506340
PNG
(US11045448, Cpd. No. 8 | methyl ((1S,2R)-2-((S)-1-...)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C41H53FN6O5S/c1-4-38-43-18-21-46(38)28-41(31-8-6-9-32(42)22-31,36-10-7-11-37(36)44-40(50)53-3)30-16-19-45(20-17-30)23-29-24-47(25-29)33-12-14-34(15-13-33)54(51,52)35-26-48(27-35)39(49)5-2/h5-6,8-9,12-15,18,21-22,29-30,35-37H,2,4,7,10-11,16-17,19-20,23-28H2,1,3H3,(H,44,50)/t36-,37-,41-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506342
PNG
((1S,2R)-2-((S)-(1-((1-(4-((4- acrylamidophenyl)sul...)
Show SMILES CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)43-31-10-14-33(15-11-31)51(48,49)34-16-12-32(13-17-34)45-24-27(25-45)23-44-20-18-28(19-21-44)39(26-41,29-6-4-7-30(40)22-29)35-8-5-9-36(35)50-38(47)42-2/h3-4,6-7,10-17,22,27-28,35-36H,1,5,8-9,18-21,23-25H2,2H3,(H,42,47)(H,43,46)/t35-,36-,39-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM50511899
PNG
(CHEMBL4457657 | US11045448, Cpd. No. 67)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C44H60FN7O5S/c1-5-41-46-20-24-50(41)31-44(34-9-6-10-35(45)25-34,39-11-7-12-40(39)47-43(54)57-4)33-18-22-49(23-19-33)26-32-27-51(28-32)36-14-16-37(17-15-36)58(55,56)38-29-52(30-38)42(53)13-8-21-48(2)3/h6,8-10,13-17,20,24-25,32-33,38-40H,5,7,11-12,18-19,21-23,26-31H2,1-4H3,(H,47,54)/b13-8+/t39-,40-,44-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM50511900
PNG
(CHEMBL4454017 | US11045448, Cpd. No. 72)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](Cn1ccnn1)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C41H55FN8O5S/c1-46(2)19-6-11-39(51)49-27-36(28-49)56(53,54)35-14-12-34(13-15-35)48-25-30(26-48)24-47-20-16-31(17-21-47)41(29-50-22-18-43-45-50,32-7-4-8-33(42)23-32)37-9-5-10-38(37)44-40(52)55-3/h4,6-8,11-15,18,22-23,30-31,36-38H,5,9-10,16-17,19-21,24-29H2,1-3H3,(H,44,52)/b11-6+/t37-,38-,41-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506337
PNG
(US11045448, Cpd. No. 5 | methyl ((1S,2R)-2-((S)-(1...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)42-31-9-5-10-34(22-31)51(48,49)33-15-13-32(14-16-33)45-24-27(25-45)23-44-19-17-28(18-20-44)39(26-41,29-7-4-8-30(40)21-29)35-11-6-12-36(35)43-38(47)50-2/h3-5,7-10,13-16,21-22,27-28,35-36H,1,6,11-12,17-20,23-25H2,2H3,(H,42,46)(H,43,47)/t35-,36-,39-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506341
PNG
(US11045448, Cpd. No. 9 | methyl ((1S,2R)-2-((S)-1-...)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C44H52F2N6O5S/c1-4-40-47-21-24-51(40)30-44(32-9-6-10-33(45)25-32,38-13-8-14-39(38)49-42(54)57-3)31-19-22-50(23-20-31)27-43(46)28-52(29-43)35-15-17-36(18-16-35)58(55,56)37-12-7-11-34(26-37)48-41(53)5-2/h5-7,9-12,15-18,21,24-26,31,38-39H,2,4,8,13-14,19-20,22-23,27-30H2,1,3H3,(H,48,53)(H,49,54)/t38-,39-,44-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506335
PNG
((1S,2R)-2-((S)-(1-((1-(4-((3- acrylamidophenyl)sul...)
Show SMILES CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)43-31-9-5-10-34(22-31)51(48,49)33-15-13-32(14-16-33)45-24-27(25-45)23-44-19-17-28(18-20-44)39(26-41,29-7-4-8-30(40)21-29)35-11-6-12-36(35)50-38(47)42-2/h3-5,7-10,13-16,21-22,27-28,35-36H,1,6,11-12,17-20,23-25H2,2H3,(H,42,47)(H,43,46)/t35-,36-,39-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM50511906
PNG
(CHEMBL4435830 | US11045448, Cpd. No. 57)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H51FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,6-8,11-15,21,28-29,34-36H,5,9-10,16-20,22-26H2,1-3H3,(H,42,48)/b11-6+/t35-,36-,39-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506365
PNG
(US11045448, Cpd. No. 74 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCC2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C41H53FN6O5S/c1-53-40(50)44-38-10-5-9-37(38)41(29-43,32-7-4-8-33(42)23-32)31-16-21-46(22-17-31)24-30-25-47(26-30)34-12-14-35(15-13-34)54(51,52)36-27-48(28-36)39(49)11-6-20-45-18-2-3-19-45/h4,6-8,11-15,23,30-31,36-38H,2-3,5,9-10,16-22,24-28H2,1H3,(H,44,50)/b11-6+/t37-,38-,41-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506338
PNG
(US11045448, Cpd. No. 6 | methyl ((1S,2R)-2-((S)-(1...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C36H44FN5O5S/c1-3-34(43)42-22-31(23-42)48(45,46)30-12-10-29(11-13-30)41-20-25(21-41)19-40-16-14-26(15-17-40)36(24-38,27-6-4-7-28(37)18-27)32-8-5-9-33(32)39-35(44)47-2/h3-4,6-7,10-13,18,25-26,31-33H,1,5,8-9,14-17,19-23H2,2H3,(H,39,44)/t32-,33-,36-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506339
PNG
(US11045448, Cpd. No. 7 | methyl ((1S,2R)-2-((S)-1-...)
Show SMILES CCc1nccn1C[C@]([C@H]1CCC[C@@H]1NC(=O)OC)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C44H53FN6O5S/c1-4-41-46-21-24-50(41)30-44(33-9-6-10-34(45)25-33,39-13-8-14-40(39)48-43(53)56-3)32-19-22-49(23-20-32)27-31-28-51(29-31)36-15-17-37(18-16-36)57(54,55)38-12-7-11-35(26-38)47-42(52)5-2/h5-7,9-12,15-18,21,24-26,31-32,39-40H,2,4,8,13-14,19-20,22-23,27-30H2,1,3H3,(H,47,52)(H,48,53)/t39-,40-,44-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506353
PNG
(US11045448, Cpd. No. 62 | methyl ((1S,2R)-2-((S)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)\C=C\C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C40H46FN5O5S/c1-3-7-38(47)43-32-10-5-11-35(23-32)52(49,50)34-16-14-33(15-17-34)46-25-28(26-46)24-45-20-18-29(19-21-45)40(27-42,30-8-4-9-31(41)22-30)36-12-6-13-37(36)44-39(48)51-2/h3-5,7-11,14-17,22-23,28-29,36-37H,6,12-13,18-21,24-26H2,1-2H3,(H,43,47)(H,44,48)/b7-3+/t36-,37-,40-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506373
PNG
(N-((1S,2R)-2-((S)-cyano(1-((1-(4-cyanophenyl)azeti...)
Show SMILES Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)C#C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C32H34FN5O/c1-2-31(39)36-30-8-4-7-29(30)32(22-35,26-5-3-6-27(33)17-26)25-13-15-37(16-14-25)19-24-20-38(21-24)28-11-9-23(18-34)10-12-28/h1,3,5-6,9-12,17,24-25,29-30H,4,7-8,13-16,19-21H2,(H,36,39)/t29-,30-,32-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506352
PNG
(US11045448, Cpd. No. 61 | methyl ((1S,2R)-2-((S)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)42-31-10-14-33(15-11-31)51(48,49)34-16-12-32(13-17-34)45-24-27(25-45)23-44-20-18-28(19-21-44)39(26-41,29-6-4-7-30(40)22-29)35-8-5-9-36(35)43-38(47)50-2/h3-4,6-7,10-17,22,27-28,35-36H,1,5,8-9,18-21,23-25H2,2H3,(H,42,46)(H,43,47)/t35-,36-,39-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506362
PNG
(US11045448, Cpd. No. 71 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCCCC2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C42H55FN6O5S/c1-54-41(51)45-39-11-6-10-38(39)42(30-44,33-8-5-9-34(43)24-33)32-17-22-47(23-18-32)25-31-26-48(27-31)35-13-15-36(16-14-35)55(52,53)37-28-49(29-37)40(50)12-7-21-46-19-3-2-4-20-46/h5,7-9,12-16,24,31-32,37-39H,2-4,6,10-11,17-23,25-29H2,1H3,(H,45,51)/b12-7+/t38-,39-,42-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506350
PNG
(US11045448, Cpd. No. 59 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN2CCOCC2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C41H53FN6O6S/c1-53-40(50)44-38-8-3-7-37(38)41(29-43,32-5-2-6-33(42)23-32)31-14-17-46(18-15-31)24-30-25-47(26-30)34-10-12-35(13-11-34)55(51,52)36-27-48(28-36)39(49)9-4-16-45-19-21-54-22-20-45/h2,4-6,9-13,23,30-31,36-38H,3,7-8,14-22,24-28H2,1H3,(H,44,50)/b9-4+/t37-,38-,41-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506331
PNG
((1S,2R)-2-((S)-(1-((1-(4-((1-acryloylazetidin-3- y...)
Show SMILES CNC(=O)O[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C36H44FN5O5S/c1-3-34(43)42-22-31(23-42)48(45,46)30-12-10-29(11-13-30)41-20-25(21-41)19-40-16-14-26(15-17-40)36(24-38,27-6-4-7-28(37)18-27)32-8-5-9-33(32)47-35(44)39-2/h3-4,6-7,10-13,18,25-26,31-33H,1,5,8-9,14-17,19-23H2,2H3,(H,39,44)/t32-,33-,36-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506349
PNG
(US11045448, Cpd. No. 58 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)\C=C\CN3CCOCC3)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C44H53FN6O6S/c1-56-43(53)48-41-11-4-10-40(41)44(31-46,34-6-2-7-35(45)26-34)33-17-20-50(21-18-33)28-32-29-51(30-32)37-13-15-38(16-14-37)58(54,55)39-9-3-8-36(27-39)47-42(52)12-5-19-49-22-24-57-25-23-49/h2-3,5-9,12-16,26-27,32-33,40-41H,4,10-11,17-25,28-30H2,1H3,(H,47,52)(H,48,53)/b12-5+/t40-,41-,44-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506347
PNG
(US11045448, Cpd. No. 56 | methyl ((1S,2R)-2-((S)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C37H46FN5O5S/c1-3-6-35(44)43-23-32(24-43)49(46,47)31-13-11-30(12-14-31)42-21-26(22-42)20-41-17-15-27(16-18-41)37(25-39,28-7-4-8-29(38)19-28)33-9-5-10-34(33)40-36(45)48-2/h3-4,6-8,11-14,19,26-27,32-34H,5,9-10,15-18,20-24H2,1-2H3,(H,40,45)/b6-3+/t33-,34-,37-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506367
PNG
(2-chloro-N-((1S,2R)-2-((S)-cyano(1-((1-(4- (cyclop...)
Show SMILES Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)CCl)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CC2)CC1
Show InChI InChI=1S/C33H40ClFN4O3S/c34-18-32(40)37-31-6-2-5-30(31)33(22-36,25-3-1-4-26(35)17-25)24-13-15-38(16-14-24)19-23-20-39(21-23)27-7-9-28(10-8-27)43(41,42)29-11-12-29/h1,3-4,7-10,17,23-24,29-31H,2,5-6,11-16,18-21H2,(H,37,40)/t30-,31-,33-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506366
PNG
(US11045448, Cpd. No. 75 | methyl ((1S,2R)-2-((1S)-...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1C[C@H](C)N(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)[C@H](C)C1)c1cccc(F)c1
Show InChI InChI=1S/C41H55FN6O5S/c1-28-19-32(41(27-43,31-9-6-10-33(42)21-31)37-11-7-12-38(37)44-40(50)53-5)20-29(2)48(28)24-30-22-46(23-30)34-14-16-35(17-15-34)54(51,52)36-25-47(26-36)39(49)13-8-18-45(3)4/h6,8-10,13-17,21,28-30,32,36-38H,7,11-12,18-20,22-26H2,1-5H3,(H,44,50)/b13-8+/t28-,29+,32?,37-,38-,41+/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506371
PNG
(N-((1S,2R)-2-((S)-cyano(1-((1-(4-cyanophenyl)azeti...)
Show SMILES Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)C=C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C32H36FN5O/c1-2-31(39)36-30-8-4-7-29(30)32(22-35,26-5-3-6-27(33)17-26)25-13-15-37(16-14-25)19-24-20-38(21-24)28-11-9-23(18-34)10-12-28/h2-3,5-6,9-12,17,24-25,29-30H,1,4,7-8,13-16,19-21H2,(H,36,39)/t29-,30-,32-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506359
PNG
(US11045448, Cpd. No. 68 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CCCOc2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C38H50FN5O6S/c1-42(2)19-6-12-36(45)44-25-33(26-44)51(47,48)32-15-13-31(14-16-32)50-23-7-20-43-21-17-28(18-22-43)38(27-40,29-8-4-9-30(39)24-29)34-10-5-11-35(34)41-37(46)49-3/h4,6,8-9,12-16,24,28,33-35H,5,7,10-11,17-23,25-26H2,1-3H3,(H,41,46)/b12-6+/t34-,35-,38-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506360
PNG
(US11045448, Cpd. No. 69 | methyl ((1S,2R)-2-((S)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H50F2N6O5S/c1-44(2)18-6-11-36(48)46-22-33(23-46)53(50,51)32-14-12-31(13-15-32)47-26-38(41,27-47)25-45-19-16-28(17-20-45)39(24-42,29-7-4-8-30(40)21-29)34-9-5-10-35(34)43-37(49)52-3/h4,6-8,11-15,21,28,33-35H,5,9-10,16-20,22-23,25-27H2,1-3H3,(H,43,49)/b11-6+/t34-,35-,39-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506372
PNG
(2-chloro-N-((1S,2R)-2-((S)-cyano(1-((1-(4-cyanophe...)
Show SMILES Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NC(=O)CCl)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C31H35ClFN5O/c32-16-30(39)36-29-6-2-5-28(29)31(21-35,25-3-1-4-26(33)15-25)24-11-13-37(14-12-24)18-23-19-38(20-23)27-9-7-22(17-34)8-10-27/h1,3-4,7-10,15,23-24,28-29H,2,5-6,11-14,16,18-20H2,(H,36,39)/t28-,29-,31-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506369
PNG
(US11045448, Cpd. No. 78 | methyl ((1S,2R)-2-((1S)-...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CCCN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C38H48FN5O5S/c1-3-36(45)43-18-6-9-33(25-43)50(47,48)32-14-12-31(13-15-32)44-23-27(24-44)22-42-19-16-28(17-20-42)38(26-40,29-7-4-8-30(39)21-29)34-10-5-11-35(34)41-37(46)49-2/h3-4,7-8,12-15,21,27-28,33-35H,1,5-6,9-11,16-20,22-25H2,2H3,(H,41,46)/t33?,34-,35-,38-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506368
PNG
(US11045448, Cpd. No. 77 | methyl ((1S,2R)-2-((1S)-...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CCN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C37H46FN5O5S/c1-3-35(44)42-19-16-32(24-42)49(46,47)31-12-10-30(11-13-31)43-22-26(23-43)21-41-17-14-27(15-18-41)37(25-39,28-6-4-7-29(38)20-28)33-8-5-9-34(33)40-36(45)48-2/h3-4,6-7,10-13,20,26-27,32-34H,1,5,8-9,14-19,21-24H2,2H3,(H,40,45)/t32?,33-,34-,37-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506345
PNG
(US11045448, Cpd. No. 13 | methyl ((1S,2R)-2-((S)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C36H43F2N5O5S/c1-3-33(44)42-19-30(20-42)49(46,47)29-12-10-28(11-13-29)43-23-35(38,24-43)22-41-16-14-25(15-17-41)36(21-39,26-6-4-7-27(37)18-26)31-8-5-9-32(31)40-34(45)48-2/h3-4,6-7,10-13,18,25,30-32H,1,5,8-9,14-17,19-20,22-24H2,2H3,(H,40,45)/t31-,32-,36-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506344
PNG
(US11045448, Cpd. No. 12 | methyl ((1S,2R)-2-((S)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(C1CCN(CC2(F)CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H43F2N5O5S/c1-3-36(47)43-30-9-5-10-33(22-30)52(49,50)32-15-13-31(14-16-32)46-25-38(41,26-46)24-45-19-17-27(18-20-45)39(23-42,28-7-4-8-29(40)21-28)34-11-6-12-35(34)44-37(48)51-2/h3-5,7-10,13-16,21-22,27,34-35H,1,6,11-12,17-20,24-26H2,2H3,(H,43,47)(H,44,48)/t34-,35-,39-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506336
PNG
((1S,2R)-2-((R)-(1-((1-(4-((3- acrylamidophenyl)sul...)
Show SMILES CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)43-31-9-5-10-34(22-31)51(48,49)33-15-13-32(14-16-33)45-24-27(25-45)23-44-19-17-28(18-20-44)39(26-41,29-7-4-8-30(40)21-29)35-11-6-12-36(35)50-38(47)42-2/h3-5,7-10,13-16,21-22,27-28,35-36H,1,6,11-12,17-20,23-25H2,2H3,(H,42,47)(H,43,46)/t35-,36-,39+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506334
PNG
((1S,2R)-2-((R)-(1-((1-(4-((1-acryloylazetidin-3- y...)
Show SMILES CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C36H44FN5O5S/c1-3-34(43)42-22-31(23-42)48(45,46)30-12-10-29(11-13-30)41-20-25(21-41)19-40-16-14-26(15-17-40)36(24-38,27-6-4-7-28(37)18-27)32-8-5-9-33(32)47-35(44)39-2/h3-4,6-7,10-13,18,25-26,31-33H,1,5,8-9,14-17,19-23H2,2H3,(H,39,44)/t32-,33-,36+/m0/s1
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n/an/a 374n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506370
PNG
(N-((1S,2R)-2-((S)-cyano(1-((1-(4-cyanophenyl)azeti...)
Show SMILES Fc1cccc(c1)[C@@](C#N)([C@H]1CCC[C@@H]1NS(=O)(=O)C=C)C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C31H36FN5O2S/c1-2-40(38,39)35-30-8-4-7-29(30)31(22-34,26-5-3-6-27(32)17-26)25-13-15-36(16-14-25)19-24-20-37(21-24)28-11-9-23(18-33)10-12-28/h2-3,5-6,9-12,17,24-25,29-30,35H,1,4,7-8,13-16,19-21H2/t29-,30-,31-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506351
PNG
(US11045448, Cpd. No. 60 | methyl ((1S,2R)-2-((R)-c...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)\C=C\CN(C)C)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H51FN6O5S/c1-43(2)18-6-11-37(47)46-25-34(26-46)52(49,50)33-14-12-32(13-15-33)45-23-28(24-45)22-44-19-16-29(17-20-44)39(27-41,30-7-4-8-31(40)21-30)35-9-5-10-36(35)42-38(48)51-3/h4,6-8,11-15,21,28-29,34-36H,5,9-10,16-20,22-26H2,1-3H3,(H,42,48)/b11-6+/t35-,36-,39+/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506343
PNG
((1S,2R)-2-((R)-(1-((1-(4-((4- acrylamidophenyl)sul...)
Show SMILES CNC(=O)O[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)43-31-10-14-33(15-11-31)51(48,49)34-16-12-32(13-17-34)45-24-27(25-45)23-44-20-18-28(19-21-44)39(26-41,29-6-4-7-30(40)22-29)35-8-5-9-36(35)50-38(47)42-2/h3-4,6-7,10-17,22,27-28,35-36H,1,5,8-9,18-21,23-25H2,2H3,(H,42,47)(H,43,46)/t35-,36-,39+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506361
PNG
(US11045448, Cpd. No. 70 | methyl ((1S,2R)-2-((R)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C39H44FN5O5S/c1-3-37(46)42-31-9-5-10-34(22-31)51(48,49)33-15-13-32(14-16-33)45-24-27(25-45)23-44-19-17-28(18-20-44)39(26-41,29-7-4-8-30(40)21-29)35-11-6-12-36(35)43-38(47)50-2/h3-5,7-10,13-16,21-22,27-28,35-36H,1,6,11-12,17-20,23-25H2,2H3,(H,42,46)(H,43,47)/t35-,36-,39+/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506356
PNG
(US11045448, Cpd. No. 65 | methyl ((1S,2R)-2-((S)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1ccc(OCCOc2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)cc1)c1cccc(F)c1
Show InChI InChI=1S/C35H36FN3O7S/c1-3-33(40)39-21-30(22-39)47(42,43)29-16-14-28(15-17-29)46-19-18-45-27-12-10-24(11-13-27)35(23-37,25-6-4-7-26(36)20-25)31-8-5-9-32(31)38-34(41)44-2/h3-4,6-7,10-17,20,30-32H,1,5,8-9,18-19,21-22H2,2H3,(H,38,41)/t31-,32-,35+/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM506355
PNG
(US11045448, Cpd. No. 64 | methyl ((1S,2R)-2-((R)-(...)
Show SMILES COC(=O)N[C@H]1CCC[C@@H]1[C@@](C#N)(c1ccc(OCCOc2ccc(cc2)S(=O)(=O)C2CN(C2)C(=O)C=C)cc1)c1cccc(F)c1
Show InChI InChI=1S/C35H36FN3O7S/c1-3-33(40)39-21-30(22-39)47(42,43)29-16-14-28(15-17-29)46-19-18-45-27-12-10-24(11-13-27)35(23-37,25-6-4-7-26(36)20-25)31-8-5-9-32(31)38-34(41)44-2/h3-4,6-7,10-17,20,30-32H,1,5,8-9,18-19,21-22H2,2H3,(H,38,41)/t31-,32-,35-/m0/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM lab...


US Patent US11045448 (2021)

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