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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with Target = 'Menin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50117750
PNG
(CHEMBL3586090)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Show InChI InChI=1S/C17H20F3N5S2/c1-16(2)9-21-15(27-16)25-5-3-24(4-6-25)13-12-7-11(8-17(18,19)20)26-14(12)23-10-22-13/h7,10H,3-6,8-9H2,1-2H3
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n/an/a 46n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50117744
PNG
(CHEMBL3613789)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CC(F)F)cc12
Show InChI InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3
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n/an/a 65n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50117746
PNG
(CHEMBL3613786)
Show SMILES FC(F)c1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Show InChI InChI=1S/C15H13F5N6S2/c16-10(17)13-23-24-14(28-13)26-3-1-25(2-4-26)11-9-5-8(6-15(18,19)20)27-12(9)22-7-21-11/h5,7,10H,1-4,6H2
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n/an/a 82n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50117749
PNG
(CHEMBL3613784)
Show SMILES FC(F)(F)Cc1cc2c(ncnc2s1)N1CCN(CC1)c1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C15H12F6N6S2/c16-14(17,18)6-8-5-9-10(22-7-23-11(9)28-8)26-1-3-27(4-2-26)13-25-24-12(29-13)15(19,20)21/h5,7H,1-4,6H2
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n/an/a 92n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50117745
PNG
(CHEMBL3613788)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(CCF)cc12
Show InChI InChI=1S/C17H22FN5S2/c1-17(2)10-19-16(25-17)23-7-5-22(6-8-23)14-13-9-12(3-4-18)24-15(13)21-11-20-14/h9,11H,3-8,10H2,1-2H3
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n/an/a 260n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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
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)

More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM50117743
PNG
(CHEMBL3613790)
Show SMILES CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc(cc12)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3
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n/an/a 674n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Menin


(Homo sapiens (Human))
BDBM50117748
PNG
(CHEMBL3612085)
Show SMILES Cc1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Show InChI InChI=1S/C15H15F3N6S2/c1-9-21-22-14(25-9)24-4-2-23(3-5-24)12-11-6-10(7-15(16,17)18)26-13(11)20-8-19-12/h6,8H,2-5,7H2,1H3
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n/an/a 779n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

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 1.20E+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)

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



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

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)

More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM50117747
PNG
(CHEMBL3613785)
Show SMILES FCc1nnc(s1)N1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12
Show InChI InChI=1S/C15H14F4N6S2/c16-7-11-22-23-14(27-11)25-3-1-24(2-4-25)12-10-5-9(6-15(17,18)19)26-13(10)21-8-20-12/h5,8H,1-4,6-7H2
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

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)

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)

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)

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
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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US Patent
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)

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)

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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US Patent
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)

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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US Patent
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)

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=1/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)

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
Show InChI InChI=1/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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US Patent
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)

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)

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)

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=1/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)

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)

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)

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=1/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)

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)

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)

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)

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=1/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)

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)

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=1/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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US Patent
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)

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=1/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)

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)

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)

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)

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)

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=1/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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
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