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Found 88 hits Enz. Inhib. hit(s) with Target = 'Menin'   
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))
BDBM50156122
PNG
(CHEMBL3781030)
Show SMILES Oc1cc2n(Cc3cn[nH]c3)c(cc2cc1CN1CCC(CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)C#N
Show InChI InChI=1S/C27H25F3N8OS/c28-27(29,30)9-21-7-22-25(32-15-33-26(22)40-21)36-19-1-3-37(4-2-19)14-18-5-17-6-20(10-31)38(23(17)8-24(18)39)13-16-11-34-35-12-16/h5-8,11-12,15,19,39H,1-4,9,13-14H2,(H,34,35)(H,32,33,36)
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n/an/an/a 6.5n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to menin (unknown origin)


J Med Chem 59: 892-913 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01305
BindingDB Entry DOI: 10.7270/Q2M32XM7
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM50156121
PNG
(CHEMBL3780497)
Show SMILES FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5[nH]c(cc5c4)C#N)CC3)ncnc2s1
Show InChI InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31)
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n/an/an/a 24n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to menin (unknown origin)


J Med Chem 59: 892-913 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01305
BindingDB Entry DOI: 10.7270/Q2M32XM7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50366388
PNG
(NEOMYCIN | NEOMYCIN A)
Show SMILES NCC1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@@H](N)[C@H](O)[C@H]1O
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7+,8?,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-/m0/s1
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n/an/an/a 1.56E+4n/an/an/an/an/a



Fuzhou University

Curated by ChEMBL


Assay Description
Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis


Bioorg Med Chem Lett 24: 2090-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.055
BindingDB Entry DOI: 10.7270/Q27M09G0
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
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))
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))
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))
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))
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))
BDBM152215
PNG
(US8993552, 9)
Show SMILES [H][N]1([H])CCN(CC1)c1ncnc2sc3CCCCc3c12
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))
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))
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))
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))
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))
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))
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))
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))
BDBM152223
PNG
(US8993552, 27)
Show SMILES [H][N]1(C)CCCN(CC1)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))
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))
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))
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))
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))
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))
BDBM152211
PNG
(BDBM152229 | US8993552, 1)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12
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))
BDBM152230
PNG
(US8993552, 65)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1
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))
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))
BDBM152232
PNG
(US8993552, 67)
Show SMILES CC(C)c1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1
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))
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))
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))
BDBM152235
PNG
(US8993552, 70)
Show SMILES CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1
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))
BDBM152236
PNG
(US8993552, 71)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(Cc3ccccc3)cc12
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
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))
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))
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))
BDBM152240
PNG
(US8993552, 75)
Show SMILES CC(C)c1cc2c(ncnc2s1)N1CCCN(CC1)C1=NCC(C)(C)S1
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))
BDBM152241
PNG
(US8993552, 76)
Show SMILES CCc1cc2c(ncnc2s1)N1CCCN(CC1)C1=NCC(C)(C)S1
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))
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))
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))
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))
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))
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))
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))
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))
BDBM152249
PNG
(US8993552, 32)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1cccnc1
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))
BDBM152250
PNG
(US8993552, 33)
Show SMILES CC(=O)N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1ccncc1
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))
BDBM152251
PNG
(US8993552, 34)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2OCOc2c1
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))
BDBM152252
PNG
(US8993552, 35)
Show SMILES COc1cc(cc(OC)c1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2
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))
BDBM152253
PNG
(US8993552, 36)
Show SMILES O=C1CC(CC2=C1C(Nc1ccccc1N2)c1cccnc1)c1ccc2OCOc2c1
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))
BDBM152254
PNG
(US8993552, 37)
Show SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccnc1
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))
BDBM152255
PNG
(US8993552, 38)
Show SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1C
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
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