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Patent code US8993552

Compile Data Set for Download or QSAR
Found 72 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
Menin


(Homo sapiens (Human))		BDBM152235
PNG
(US8993552, 70)
Show SMILES CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:21|
Show InChI InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
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n/an/a 430n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))		BDBM152232
PNG
(US8993552, 67)
Show SMILES CC(C)c1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:21|
Show InChI InChI=1S/C18H25N5S2/c1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17/h9,11-12H,5-8,10H2,1-4H3
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n/an/a 650n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152231
PNG
(US8993552, 66)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N6S2/c1-2-9-7-10-11(19-8-20-12(10)25-9)23-3-5-24(6-4-23)14-22-21-13(26-14)15(16,17)18/h7-8H,2-6H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152230
PNG
(US8993552, 65)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:20|
Show InChI InChI=1S/C17H23N5S2/c1-4-12-9-13-14(19-11-20-15(13)23-12)21-5-7-22(8-6-21)16-18-10-17(2,3)24-16/h9,11H,4-8,10H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152211
PNG
(BDBM152229 | US8993552, 1)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12 |c:4|
Show InChI InChI=1S/C19H25N5S2/c1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16/h12H,3-11H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152245
PNG
(US8993552, 80)
Show SMILES CCc1cc2c(NC3CCN(Cc4ccccc4)CC3)ncnc2s1
Show InChI InChI=1S/C20H24N4S/c1-2-17-12-18-19(21-14-22-20(18)25-17)23-16-8-10-24(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,21,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152211
PNG
(BDBM152229 | US8993552, 1)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12 |c:4|
Show InChI InChI=1S/C19H25N5S2/c1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16/h12H,3-11H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152211
PNG
(BDBM152229 | US8993552, 1)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12 |c:4|
Show InChI InChI=1S/C19H25N5S2/c1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16/h12H,3-11H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152233
PNG
(US8993552, 68)
Show SMILES CC(C)c1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N6S2/c1-9(2)11-7-10-12(20-8-21-13(10)26-11)24-3-5-25(6-4-24)15-23-22-14(27-15)16(17,18)19/h7-9H,3-6H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152224
PNG
(US8993552, 4)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(CC)s1
Show InChI InChI=1S/C16H20N6S2/c1-3-11-9-12-14(17-10-18-15(12)23-11)21-5-7-22(8-6-21)16-20-19-13(4-2)24-16/h9-10H,3-8H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152247
PNG
(US8993552, 82)
Show SMILES CCc1cc2c(NCC3CCN(Cc4ccc(F)cc4)CC3)ncnc2s1
Show InChI InChI=1S/C21H25FN4S/c1-2-18-11-19-20(24-14-25-21(19)27-18)23-12-15-7-9-26(10-8-15)13-16-3-5-17(22)6-4-16/h3-6,11,14-15H,2,7-10,12-13H2,1H3,(H,23,24,25)
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n/an/a 4.40E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152236
PNG
(US8993552, 71)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(Cc3ccccc3)cc12 |c:4|
Show InChI InChI=1S/C22H25N5S2/c1-22(2)14-23-21(29-22)27-10-8-26(9-11-27)19-18-13-17(28-20(18)25-15-24-19)12-16-6-4-3-5-7-16/h3-7,13,15H,8-12,14H2,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152237
PNG
(US8993552, 72)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(Br)cc12 |c:4|
Show InChI InChI=1S/C15H18BrN5S2/c1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12/h7,9H,3-6,8H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152241
PNG
(US8993552, 76)
Show SMILES CCc1cc2c(ncnc2s1)N1CCCN(CC1)C1=NCC(C)(C)S1 |t:21|
Show InChI InChI=1S/C18H25N5S2/c1-4-13-10-14-15(20-12-21-16(14)24-13)22-6-5-7-23(9-8-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152249
PNG
(US8993552, 32)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1cccnc1 |t:5|
Show InChI InChI=1S/C30H31N3O2/c1-19(34)33-26-10-6-5-9-24(26)32-25-16-22(20-11-13-23(14-12-20)30(2,3)4)17-27(35)28(25)29(33)21-8-7-15-31-18-21/h5-15,18,22,29,32H,16-17H2,1-4H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152239
PNG
(US8993552, 74)
Show SMILES CCc1cc2c(ncnc2s1)N1CCCN(CC(=O)N2CCCC2)CC1
Show InChI InChI=1S/C19H27N5OS/c1-2-15-12-16-18(20-14-21-19(16)26-15)24-9-5-6-22(10-11-24)13-17(25)23-7-3-4-8-23/h12,14H,2-11,13H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152259
PNG
(US8993552, 86)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(Cl)c(Cl)c2)Nc2ccccc12)c1cccnc1 |t:5|
Show InChI InChI=1S/C26H21Cl2N3O2/c1-15(32)31-23-7-3-2-6-21(23)30-22-12-18(16-8-9-19(27)20(28)11-16)13-24(33)25(22)26(31)17-5-4-10-29-14-17/h2-11,14,18,26,30H,12-13H2,1H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152242
PNG
(US8993552, 77)
Show SMILES Cc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1C
Show InChI InChI=1S/C20H24N4S/c1-14-15(2)25-20-18(14)19(21-13-22-20)23-17-8-10-24(11-9-17)12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,21,22,23)
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n/an/a 8.70E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM50302435
PNG
((4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H20N4OS/c1-2-15-12-16-17(20-13-21-18(16)25-15)22-8-10-23(11-9-22)19(24)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152251
PNG
(US8993552, 34)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2OCOc2c1 |c:6|
Show InChI InChI=1S/C22H22N2O3/c1-22(2)10-16-20(17(25)11-22)21(24-15-6-4-3-5-14(15)23-16)13-7-8-18-19(9-13)27-12-26-18/h3-9,21,23-24H,10-12H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152228
PNG
(US8993552, 63)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C17H18N4O2S/c1-2-12-10-13-15(18-11-19-16(13)24-12)20-5-7-21(8-6-20)17(22)14-4-3-9-23-14/h3-4,9-11H,2,5-8H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152243
PNG
(US8993552, 78)
Show SMILES C(N1CCC(CC1)Nc1ncnc2sc3CCCc3c12)c1ccccc1
Show InChI InChI=1S/C21H24N4S/c1-2-5-15(6-3-1)13-25-11-9-16(10-12-25)24-20-19-17-7-4-8-18(17)26-21(19)23-14-22-20/h1-3,5-6,14,16H,4,7-13H2,(H,22,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152249
PNG
(US8993552, 32)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1cccnc1 |t:5|
Show InChI InChI=1S/C30H31N3O2/c1-19(34)33-26-10-6-5-9-24(26)32-25-16-22(20-11-13-23(14-12-20)30(2,3)4)17-27(35)28(25)29(33)21-8-7-15-31-18-21/h5-15,18,22,29,32H,16-17H2,1-4H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152234
PNG
(US8993552, 69)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC(=O)N2CCN(C)CC2)CC1
Show InChI InChI=1S/C19H28N6OS/c1-3-15-12-16-18(20-14-21-19(16)27-15)25-10-6-23(7-11-25)13-17(26)24-8-4-22(2)5-9-24/h12,14H,3-11,13H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152238
PNG
(US8993552, 73)
Show SMILES COc1ccc(CN2CCCN(CC2)c2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C21H26N4OS/c1-15-16(2)27-21-19(15)20(22-14-23-21)25-10-4-9-24(11-12-25)13-17-5-7-18(26-3)8-6-17/h5-8,14H,4,9-13H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152244
PNG
(US8993552, 79)
Show SMILES CC1CCc2c(C1)sc1ncnc(NC3CCN(Cc4ccccc4)CC3)c21
Show InChI InChI=1S/C23H28N4S/c1-16-7-8-19-20(13-16)28-23-21(19)22(24-15-25-23)26-18-9-11-27(12-10-18)14-17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3,(H,24,25,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152227
PNG
(US8993552, 61)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C18H25N5O2S/c1-2-14-11-15-17(19-13-20-18(15)26-14)23-5-3-21(4-6-23)12-16(24)22-7-9-25-10-8-22/h11,13H,2-10,12H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152248
PNG
(US8993552, 83)
Show SMILES CCN(CCNc1ncnc2sc(CC)cc12)Cc1ccccc1
Show InChI InChI=1S/C19H24N4S/c1-3-16-12-17-18(21-14-22-19(17)24-16)20-10-11-23(4-2)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,20,21,22)
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n/an/a 2.70E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152250
PNG
(US8993552, 33)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1ccncc1 |t:5|
Show InChI InChI=1S/C30H31N3O2/c1-19(34)33-26-8-6-5-7-24(26)32-25-17-22(20-9-11-23(12-10-20)30(2,3)4)18-27(35)28(25)29(33)21-13-15-31-16-14-21/h5-16,22,29,32H,17-18H2,1-4H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152250
PNG
(US8993552, 33)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1ccncc1 |t:5|
Show InChI InChI=1S/C30H31N3O2/c1-19(34)33-26-8-6-5-7-24(26)32-25-17-22(20-9-11-23(12-10-20)30(2,3)4)18-27(35)28(25)29(33)21-13-15-31-16-14-21/h5-16,22,29,32H,17-18H2,1-4H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152225
PNG
(US8993552, 31)
Show SMILES C1CN(CCN1c1nccs1)c1ncnc2sccc12
Show InChI InChI=1S/C13H13N5S2/c1-7-19-12-10(1)11(15-9-16-12)17-3-5-18(6-4-17)13-14-2-8-20-13/h1-2,7-9H,3-6H2
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n/an/a 2.95E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152226
PNG
(US8993552, 60)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H21ClN4S/c1-2-16-11-17-18(21-13-22-19(17)25-16)24-9-7-23(8-10-24)12-14-3-5-15(20)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152240
PNG
(US8993552, 75)
Show SMILES CC(C)c1cc2c(ncnc2s1)N1CCCN(CC1)C1=NCC(C)(C)S1 |t:22|
Show InChI InChI=1S/C19H27N5S2/c1-13(2)15-10-14-16(21-12-22-17(14)25-15)23-6-5-7-24(9-8-23)18-20-11-19(3,4)26-18/h10,12-13H,5-9,11H2,1-4H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152265
PNG
(US8993552, 6G10_3 Compound 47)
Show SMILES COc1ccc(cc1)-c1csc(CC(N)=O)n1
Show InChI InChI=1S/C12H12N2O2S/c1-16-9-4-2-8(3-5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
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n/an/a 3.30E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152213
PNG
(US8993552, 3)
Show SMILES C(CNc1ncnc2sc3CCCCCc3c12)Cn1ccnc1
Show InChI InChI=1S/C17H21N5S/c1-2-5-13-14(6-3-1)23-17-15(13)16(20-11-21-17)19-7-4-9-22-10-8-18-12-22/h8,10-12H,1-7,9H2,(H,19,20,21)
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n/an/a 3.50E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152252
PNG
(US8993552, 35)
Show SMILES COc1cc(cc(OC)c1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 |c:23|
Show InChI InChI=1S/C24H28N2O4/c1-24(2)12-17-21(18(27)13-24)22(26-16-9-7-6-8-15(16)25-17)14-10-19(28-3)23(30-5)20(11-14)29-4/h6-11,22,25-26H,12-13H2,1-5H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152246
PNG
(US8993552, 81)
Show SMILES CCc1cc2c(NCC3CCN(Cc4cccc(C)c4)CC3)ncnc2s1
Show InChI InChI=1S/C22H28N4S/c1-3-19-12-20-21(24-15-25-22(20)27-19)23-13-17-7-9-26(10-8-17)14-18-6-4-5-16(2)11-18/h4-6,11-12,15,17H,3,7-10,13-14H2,1-2H3,(H,23,24,25)
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n/an/a 4.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152212
PNG
(US8993552, 2)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N4S/c1-2-16-12-17-18(20-14-21-19(17)24-16)23-10-8-22(9-11-23)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152219
PNG
(US8993552, 15)
Show SMILES Cc1csc(n1)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
Show InChI InChI=1S/C19H23N5S2/c1-12-11-25-19(20-12)24-9-7-23(8-10-24)17-16-14-5-3-4-6-15(14)26-18(16)22-13(2)21-17/h11H,3-10H2,1-2H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152261
PNG
(US8993552, 4H8 Compound 42)
Show SMILES Nc1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152222
PNG
(US8993552, 21)
Show SMILES C1CN(CCN1c1nccs1)c1ncnc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H17N5S2/c1-2-4-14(5-3-1)16-12-15-17(21-13-22-18(15)26-16)23-7-9-24(10-8-23)19-20-6-11-25-19/h1-6,11-13H,7-10H2
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n/an/a 5.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152214
PNG
(US8993552, 8)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C17H19N5S/c1-2-13-11-14-16(19-12-20-17(14)23-13)22-9-7-21(8-10-22)15-5-3-4-6-18-15/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152253
PNG
(US8993552, 36)
Show SMILES O=C1CC(CC2=C1C(Nc1ccccc1N2)c1cccnc1)c1ccc2OCOc2c1 |c:5|
Show InChI InChI=1S/C25H21N3O3/c29-21-11-17(15-7-8-22-23(12-15)31-14-30-22)10-20-24(21)25(16-4-3-9-26-13-16)28-19-6-2-1-5-18(19)27-20/h1-9,12-13,17,25,27-28H,10-11,14H2
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n/an/a 6.30E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152265
PNG
(US8993552, 6G10_3 Compound 47)
Show SMILES COc1ccc(cc1)-c1csc(CC(N)=O)n1
Show InChI InChI=1S/C12H12N2O2S/c1-16-9-4-2-8(3-5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
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n/an/a 6.70E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152220
PNG
(US8993552, 16)
Show SMILES Cc1c(sc2ncnc(N3CCN(CC3)c3nccs3)c12)-c1ccccc1
Show InChI InChI=1S/C20H19N5S2/c1-14-16-18(24-8-10-25(11-9-24)20-21-7-12-26-20)22-13-23-19(16)27-17(14)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3
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n/an/a 7.10E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152258
PNG
(US8993552, 85)
Show SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccnc1)C(C)=O |c:13|
Show InChI InChI=1S/C27H25N3O3/c1-17(31)30-24-8-4-3-7-22(24)29-23-14-20(18-9-11-21(33-2)12-10-18)15-25(32)26(23)27(30)19-6-5-13-28-16-19/h3-13,16,20,27,29H,14-15H2,1-2H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152272
PNG
(US8993552, 6G10_14 Compound 58)
Show SMILES COc1ccc(cc1Br)-c1csc(CC(N)=O)n1
Show InChI InChI=1S/C12H11BrN2O2S/c1-17-10-3-2-7(4-8(10)13)9-6-18-12(15-9)5-11(14)16/h2-4,6H,5H2,1H3,(H2,14,16)
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n/an/a 8.00E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152213
PNG
(US8993552, 3)
Show SMILES C(CNc1ncnc2sc3CCCCCc3c12)Cn1ccnc1
Show InChI InChI=1S/C17H21N5S/c1-2-5-13-14(6-3-1)23-17-15(13)16(20-11-21-17)19-7-4-9-22-10-8-18-12-22/h8,10-12H,1-7,9H2,(H,19,20,21)
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n/an/a 8.30E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152212
PNG
(US8993552, 2)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N4S/c1-2-16-12-17-18(20-14-21-19(17)24-16)23-10-8-22(9-11-23)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152257
PNG
(US8993552, 84)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc12)c1cccnc1 |t:5|
Show InChI InChI=1S/C27H25N3O2/c1-17-9-11-19(12-10-17)21-14-23-26(25(32)15-21)27(20-6-5-13-28-16-20)30(18(2)31)24-8-4-3-7-22(24)29-23/h3-13,16,21,27,29H,14-15H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152254
PNG
(US8993552, 37)
Show SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccnc1 |c:15|
Show InChI InChI=1S/C26H25N3O3/c1-31-23-10-9-16(14-24(23)32-2)18-12-21-25(22(30)13-18)26(17-6-5-11-27-15-17)29-20-8-4-3-7-19(20)28-21/h3-11,14-15,18,26,28-29H,12-13H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152268
PNG
(US8993552, 6G10_8 Compound 52)
Show SMILES Fc1ccc(cc1)-c1csc(CC(=O)N2CCOCC2)n1
Show InChI InChI=1S/C15H15FN2O2S/c16-12-3-1-11(2-4-12)13-10-21-14(17-13)9-15(19)18-5-7-20-8-6-18/h1-4,10H,5-9H2
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n/an/a 1.07E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152255
PNG
(US8993552, 38)
Show SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1C |c:15|
Show InChI InChI=1S/C28H28N2O3/c1-17-8-4-5-9-20(17)28-27-23(29-21-10-6-7-11-22(21)30-28)14-19(15-24(27)31)18-12-13-25(32-2)26(16-18)33-3/h4-13,16,19,28-30H,14-15H2,1-3H3
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n/an/a 1.15E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152266
PNG
(US8993552, 6G10_6 Compound 50)
Show SMILES Cc1ccccc1NC(=O)Cc1nc(cs1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2OS/c1-12-4-2-3-5-15(12)20-17(22)10-18-21-16(11-23-18)13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,22)
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n/an/a 1.22E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152221
PNG
(US8993552, 20)
Show SMILES Fc1ccc(cc1)-c1csc2ncnc(N3CCN(CC3)c3nccs3)c12
Show InChI InChI=1S/C19H16FN5S2/c20-14-3-1-13(2-4-14)15-11-27-18-16(15)17(22-12-23-18)24-6-8-25(9-7-24)19-21-5-10-26-19/h1-5,10-12H,6-9H2
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n/an/a 1.25E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152270
PNG
(US8993552, 6G10_10 Compound 54)
Show SMILES NC(=O)Cc1nc(cs1)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H9ClN2OS/c12-8-3-1-2-7(4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
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n/an/a 1.37E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM50304511
PNG
(6-ethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyr...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(C)CC1
Show InChI InChI=1S/C13H18N4S/c1-3-10-8-11-12(14-9-15-13(11)18-10)17-6-4-16(2)5-7-17/h8-9H,3-7H2,1-2H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152263
PNG
(US8993552, 6G10 Compound 43)
Show SMILES NC(=O)Cc1nc(cs1)-c1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
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n/an/a 2.00E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called fals...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152256
PNG
(US8993552, 39)
Show SMILES O=C1CC(CC2=C1C(Nc1ccccc1N2)c1ccncc1)c1ccc2OCOc2c1 |c:5|
Show InChI InChI=1S/C25H21N3O3/c29-21-12-17(16-5-6-22-23(13-16)31-14-30-22)11-20-24(21)25(15-7-9-26-10-8-15)28-19-4-2-1-3-18(19)27-20/h1-10,13,17,25,27-28H,11-12,14H2
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n/an/a 2.30E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152263
PNG
(US8993552, 6G10 Compound 43)
Show SMILES NC(=O)Cc1nc(cs1)-c1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
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n/an/a 2.30E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152216
PNG
(US8993552, 10)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C16H18N6S/c1-2-12-10-13-14(19-11-20-15(13)23-12)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10-11H,2,6-9H2,1H3
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n/an/a 2.50E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152218
PNG
(US8993552, 14)
Show SMILES CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N3CCN(CC3)c3nc(C)cs3)c21
Show InChI InChI=1S/C24H32N6OS2/c1-16-3-4-18-19(13-16)33-23-21(18)22(26-20(27-23)14-28-9-11-31-12-10-28)29-5-7-30(8-6-29)24-25-17(2)15-32-24/h15-16H,3-14H2,1-2H3
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n/an/a 2.50E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152223
PNG
(US8993552, 27)
Show SMILES [H][N]1([#6])[#6]-[#6]-[#6]-[#7](-[#6]-[#6]1)-c1ncnc2sccc12
Show InChI InChI=1S/C12H17N4S/c1-15-4-2-5-16(7-6-15)11-10-3-8-17-12(10)14-9-13-11/h3,8-9,15H,2,4-7H2,1H3
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n/an/a 3.50E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
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n/an/a 3.80E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152217
PNG
(US8993552, 11)
Show SMILES CN1CCN(CC1)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)22-20-19(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)28-23(20)25-16-24-22/h2-11,16H,12-15H2,1H3
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n/an/a 5.00E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152262
PNG
(US8993552, 4A6 Compound 45)
Show SMILES OCc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C12H11NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-8,14H,9H2
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n/an/a 5.10E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152215
PNG
(US8993552, 9)
Show SMILES [H][N]1([H])[#6]-[#6]-[#7](-[#6]-[#6]1)-c1ncnc2sc3-[#6]-[#6]-[#6]-[#6]-c3c12
Show InChI InChI=1S/C14H19N4S/c1-2-4-11-10(3-1)12-13(16-9-17-14(12)19-11)18-7-5-15-6-8-18/h9H,1-8,15H2
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n/an/a 5.40E+5n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152273
PNG
(US8993552, 6G10_15 Compound 59)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc(CC(N)=O)sc1C
Show InChI InChI=1S/C16H19N3O2S/c1-3-4-14(21)18-12-7-5-11(6-8-12)16-10(2)22-15(19-16)9-13(17)20/h5-8H,3-4,9H2,1-2H3,(H2,17,20)(H,18,21)
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The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152269
PNG
(US8993552, 6G10_9 Compound 53)
Show SMILES Clc1ccc(cc1)-c1csc(CC(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C18H15ClN2OS/c19-15-8-6-14(7-9-15)16-12-23-18(21-16)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
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n/an/a 1.06E+6n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152271
PNG
(US8993552, 6G10_13 Compound 57)
Show SMILES Cc1cc(C)c(cc1C)-c1csc(CC(N)=O)n1
Show InChI InChI=1S/C14H16N2OS/c1-8-4-10(3)11(5-9(8)2)12-7-18-14(16-12)6-13(15)17/h4-5,7H,6H2,1-3H3,(H2,15,17)
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n/an/a 1.20E+6n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152267
PNG
(US8993552, 6G10_7 Compound 51)
Show SMILES COC(=O)Cc1nc(cs1)C1CCCCC1
Show InChI InChI=1S/C12H17NO2S/c1-15-12(14)7-11-13-10(8-16-11)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
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n/an/a 1.90E+6n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))		BDBM152264
PNG
(US8993552, 6G10_1 Compound 46)
Show SMILES NC(=O)Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C11H10N2OS/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,14)
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n/an/a 2.00E+6n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...

US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%