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Patent code US9120749

Compile Data Set for Download or QSAR

Found 650 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
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177164
PNG
(US9120749, 530 | US9120749, 531)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C28H27Cl2N3O2/c1-4-5-26(34)22-15-31-25-11-8-18(19-13-23(29)28(35)24(30)14-19)12-21(25)27(22)32-20-9-6-17(7-10-20)16-33(2)3/h6-15,35H,4-5,16H2,1-3H3,(H,31,32)
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n/an/a 5.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177166
PNG
(US9120749, 532)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(8,-2.18,;6.67,-1.41,;5.33,-2.18,;4,-1.41,;4,.13,;2.67,-2.18,;2.67,-3.72,;1.33,-4.49,;,-3.72,;-1.33,-4.49,;-2.67,-3.72,;-2.67,-2.18,;-1.33,-1.41,;,-2.18,;1.33,-1.41,;1.33,.13,;.24,1.22,;-1.24,.82,;-2.33,1.91,;-1.93,3.4,;-3.02,4.49,;-.45,3.8,;.64,2.71,;-4,-1.41,;-4,.13,;-5.33,.9,;-5.33,2.44,;-6.67,.13,;-8,.9,;-6.67,-1.41,;-8,-2.18,;-5.33,-2.18,)|
Show InChI InChI=1S/C25H27ClFN3O2/c1-2-3-23(31)19-13-29-22-9-4-14(15-11-20(26)25(32)21(27)12-15)10-18(22)24(19)30-17-7-5-16(28)6-8-17/h4,9-13,16-17,32H,2-3,5-8,28H2,1H3,(H,29,30)/t16-,17-
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n/an/a 17n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177167
PNG
(US9120749, 533)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C25H26ClN3O3/c1-28-7-9-29(10-8-28)23-18-11-16(17-12-20(26)25(31)22(13-17)32-2)5-6-21(18)27-14-19(23)24(30)15-3-4-15/h5-6,11-15,31H,3-4,7-10H2,1-2H3
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n/an/a 8.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177176
PNG
(US9120749, 542 | US9120749, 543)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(C)=O |r,wU:5.8,wD:2.1,(-1.29,5.23,;-1.69,3.74,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-4,-2.92,;-5.33,-2.15,;-6.67,-2.92,;-5.33,-.61,;-6.67,.16,;-4,.16,;-4,1.7,;-2.67,2.47,;-2.67,-.61,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
Show InChI InChI=1S/C25H28ClN3O3/c1-14(30)20-13-28-22-9-4-15(16-11-21(26)25(31)23(12-16)32-3)10-19(22)24(20)29-18-7-5-17(27-2)6-8-18/h4,9-13,17-18,27,31H,5-8H2,1-3H3,(H,28,29)/t17-,18-
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n/an/a 4.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177192
PNG
(US9120749, 558)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.8,wD:2.1,(-1.29,5.23,;-1.69,3.74,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
Show InChI InChI=1S/C24H25Cl2N3O2/c1-13(30)19-12-28-22-8-3-14(15-10-20(25)24(31)21(26)11-15)9-18(22)23(19)29-17-6-4-16(27-2)5-7-17/h3,8-12,16-17,27,31H,4-7H2,1-2H3,(H,28,29)/t16-,17-
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n/an/a 2.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177206
PNG
(US9120749, 572 | US9120749, 573)
Show SMILES NC1CCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C27H24ClFN6O2/c28-21-8-16(9-22(29)26(21)37)15-3-4-23-19(7-15)24(20(12-31-23)25(36)14-1-2-14)34-18-10-32-27(33-11-18)35-6-5-17(30)13-35/h3-4,7-12,14,17,37H,1-2,5-6,13,30H2,(H,31,34)
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n/an/a 4n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177208
PNG
(US9120749, 574)
Show SMILES NC1CCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C27H24Cl2N6O2/c28-21-8-16(9-22(29)26(21)37)15-3-4-23-19(7-15)24(20(12-31-23)25(36)14-1-2-14)34-18-10-32-27(33-11-18)35-6-5-17(30)13-35/h3-4,7-12,14,17,37H,1-2,5-6,13,30H2,(H,31,34)
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n/an/a 1.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177214
PNG
(US9120749, 580)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3C[C@@H]4CC[C@H](C3)N4)c2c1 |r|
Show InChI InChI=1S/C26H25Cl2N3O2/c27-21-8-15(9-22(28)26(21)33)14-3-6-23-19(7-14)24(20(12-29-23)25(32)13-1-2-13)31-18-10-16-4-5-17(11-18)30-16/h3,6-9,12-13,16-18,30,33H,1-2,4-5,10-11H2,(H,29,31)/t16-,17+,18+
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n/an/a 4.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177221
PNG
(US9120749, 587 | US9120749, 588)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,-.41,;-6.1,-1.18,;-4.77,-.41,;-4.77,1.13,;-3.44,-1.18,;-3.44,-2.72,;-4.77,-3.49,;-6.1,-2.72,;-7.44,-3.49,;-2.1,-3.49,;-2.1,-5.03,;-.77,-5.8,;.56,-5.03,;1.9,-5.8,;3.23,-5.03,;3.23,-3.49,;4.56,-2.72,;4.56,-1.18,;5.9,-3.49,;6.67,-4.83,;7.44,-3.49,;1.9,-2.72,;1.9,-1.18,;.56,-.41,;-.77,-1.18,;-2.1,-.41,;-2.1,1.13,;-3.44,1.9,;-3.44,3.44,;-2.19,4.34,;-2.67,5.8,;-4.21,5.8,;-4.68,4.34,;-.77,1.9,;.56,1.13,;.56,-3.49,;-.77,-2.72,)|
Show InChI InChI=1S/C30H33ClFN3O2/c31-25-14-21(15-26(32)30(25)37)20-7-10-27-23(13-20)28(24(16-33-27)29(36)19-5-6-19)34-22-8-3-18(4-9-22)17-35-11-1-2-12-35/h7,10,13-16,18-19,22,37H,1-6,8-9,11-12,17H2,(H,33,34)/t18-,22-
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n/an/a 3.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177223
PNG
(US9120749, 589)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(N)nc3)c2c1
Show InChI InChI=1S/C25H21ClN4O3/c1-33-21-10-15(9-19(26)25(21)32)14-4-6-20-17(8-14)23(30-16-5-7-22(27)29-11-16)18(12-28-20)24(31)13-2-3-13/h4-13,32H,2-3H2,1H3,(H2,27,29)(H,28,30)
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n/an/a 11n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177228
PNG
(US9120749, 594)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1cnc(nc1)N1CCNCC1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C25H22ClFN6O2/c1-14(34)19-13-29-22-3-2-15(16-9-20(26)24(35)21(27)10-16)8-18(22)23(19)32-17-11-30-25(31-12-17)33-6-4-28-5-7-33/h2-3,8-13,28,35H,4-7H2,1H3,(H,29,32)
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n/an/a 4.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177229
PNG
(US9120749, 595)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)C3CCNCC3)c2c1
Show InChI InChI=1S/C30H34ClN3O3/c1-37-27-16-22(15-25(31)30(27)36)21-4-5-26-23(14-21)28(24(17-33-26)29(35)20-2-3-20)34-12-8-19(9-13-34)18-6-10-32-11-7-18/h4-5,14-20,32,36H,2-3,6-13H2,1H3
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n/an/a 4.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177235
PNG
(US9120749, 601 | US9120749, 602)
Show SMILES CC(C)(N)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C28H25Cl2N3O2/c1-28(2,31)18-6-8-19(9-7-18)33-25-20-11-16(17-12-22(29)27(35)23(30)13-17)5-10-24(20)32-14-21(25)26(34)15-3-4-15/h5-15,35H,3-4,31H2,1-2H3,(H,32,33)
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n/an/a 1.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177240
PNG
(US9120749, 606)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C(C)C)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2c1 |r,wU:27.28,wD:24.24,(-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-1.33,-2.69,;-1.33,-4.23,;,-5,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.92,;5.33,-.38,;6.67,-2.69,;6.67,-4.23,;8,-1.92,;2.67,-1.93,;2.67,-.38,;1.33,.38,;1.33,1.93,;,2.69,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;-4,5,;-1.33,.38,;,-.38,;1.33,-2.69,;,-1.92,)|
Show InChI InChI=1S/C29H36ClN3O3/c1-17(2)28(34)23-15-31-25-11-8-19(20-13-24(30)29(35)26(14-20)36-5)12-22(25)27(23)32-21-9-6-18(7-10-21)16-33(3)4/h8,11-15,17-18,21,35H,6-7,9-10,16H2,1-5H3,(H,31,32)/t18-,21-
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n/an/a 6.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177245
PNG
(US9120749, 611)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCCNC4)nc3)c2c1
Show InChI InChI=1S/C29H27ClFN5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(15-33-25)28(37)16-3-4-16)36-20-6-8-26(34-14-20)35-19-2-1-9-32-13-19/h5-8,10-12,14-16,19,32,38H,1-4,9,13H2,(H,33,36)(H,34,35)
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n/an/a 2.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177252
PNG
(US9120749, 618)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:9.12,wD:6.5,(-3.44,6.93,;-3.44,5.39,;-2.1,4.62,;-2.1,3.08,;-3.44,2.31,;-3.44,.77,;-2.1,,;-2.1,-1.54,;-.77,-2.31,;.56,-1.54,;.56,,;-.77,.77,;1.9,-2.31,;1.9,-3.85,;3.23,-4.62,;3.23,-6.16,;1.9,-6.93,;.56,-6.16,;-.77,-6.93,;-2.1,-6.16,;-2.1,-4.62,;-.77,-3.85,;.56,-4.62,;-3.44,-3.85,;-4.77,-4.62,;-6.1,-3.85,;-7.44,-4.62,;-6.1,-2.31,;-7.44,-1.54,;-4.77,-1.54,;-4.77,,;-3.44,-2.31,;4.56,-3.85,;4.56,-2.31,;5.9,-4.62,;6.67,-5.95,;7.44,-4.62,;-4.77,3.08,;-4.77,4.62,)|
Show InChI InChI=1S/C31H36Cl2N4O2/c1-36-10-12-37(13-11-36)18-19-2-7-23(8-3-19)35-29-24-14-21(22-15-26(32)31(39)27(33)16-22)6-9-28(24)34-17-25(29)30(38)20-4-5-20/h6,9,14-17,19-20,23,39H,2-5,7-8,10-13,18H2,1H3,(H,34,35)/t19-,23-
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n/an/a 4.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177254
PNG
(US9120749, 620)
Show SMILES CC(C)C(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(6,-4.87,;6,-3.33,;7.34,-2.56,;4.67,-2.56,;4.67,-1.02,;3.33,-3.33,;3.33,-4.87,;2,-5.64,;.67,-4.87,;-.67,-5.64,;-2,-4.87,;-2,-3.33,;-.67,-2.56,;.67,-3.33,;2,-2.56,;2,-1.02,;.91,.07,;1.31,1.55,;.22,2.64,;-1.27,2.24,;-2.36,3.33,;-2.36,4.87,;-1.02,5.64,;-3.69,5.64,;-1.66,.76,;-.58,-.33,;-3.33,-2.56,;-4.67,-3.33,;-6,-2.56,;-7.34,-3.33,;-6,-1.02,;-7.34,-.25,;-4.67,-.25,;-4.67,1.29,;-3.33,-1.02,)|
Show InChI InChI=1S/C28H33ClFN3O2/c1-16(2)27(34)22-14-31-25-10-7-18(19-12-23(29)28(35)24(30)13-19)11-21(25)26(22)32-20-8-5-17(6-9-20)15-33(3)4/h7,10-14,16-17,20,35H,5-6,8-9,15H2,1-4H3,(H,31,32)/t17-,20-
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n/an/a 6.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177261
PNG
(US9120749, 627)
Show SMILES COC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:10.13,wD:7.6,(-4.21,7.14,;-4.98,5.8,;-4.21,4.47,;-2.67,4.47,;-2.19,3.01,;-3.44,2.1,;-3.44,.56,;-2.1,-.21,;-2.1,-1.75,;-.77,-2.52,;.56,-1.75,;.56,-.21,;-.77,.56,;1.9,-2.52,;1.9,-4.06,;3.23,-4.83,;3.23,-6.37,;1.9,-7.14,;.56,-6.37,;-.77,-7.14,;-2.1,-6.37,;-2.1,-4.83,;-.77,-4.06,;.56,-4.83,;-3.44,-4.06,;-3.44,-2.52,;-4.77,-1.75,;-4.77,-.21,;-6.1,-2.52,;-7.44,-1.75,;-6.1,-4.06,;-7.44,-4.83,;-4.77,-4.83,;4.56,-4.06,;4.56,-2.52,;5.9,-4.83,;6.67,-6.16,;7.44,-4.83,;-4.68,3.01,)|
Show InChI InChI=1S/C31H35ClFN3O3/c1-39-23-10-11-36(17-23)16-18-2-7-22(8-3-18)35-29-24-12-20(21-13-26(32)31(38)27(33)14-21)6-9-28(24)34-15-25(29)30(37)19-4-5-19/h6,9,12-15,18-19,22-23,38H,2-5,7-8,10-11,16-17H2,1H3,(H,34,35)/t18-,22-,23?
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n/an/a 24n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177262
PNG
(US9120749, 628)
Show SMILES NC1CCCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C28H26Cl2N6O2/c29-22-9-17(10-23(30)27(22)38)16-5-6-24-20(8-16)25(21(13-32-24)26(37)15-3-4-15)35-19-11-33-28(34-12-19)36-7-1-2-18(31)14-36/h5-6,8-13,15,18,38H,1-4,7,14,31H2,(H,32,35)
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n/an/a 1.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177263
PNG
(US9120749, 629)
Show SMILES CN(C)Cc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)c1
Show InChI InChI=1S/C28H25ClFN3O2/c1-33(2)15-16-4-3-5-20(10-16)32-26-21-11-18(19-12-23(29)28(35)24(30)13-19)8-9-25(21)31-14-22(26)27(34)17-6-7-17/h3-5,8-14,17,35H,6-7,15H2,1-2H3,(H,31,32)
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n/an/a 5.10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177267
PNG
(US9120749, 633)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN(C)CCO)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-1.93,;-6.77,-2.7,;-5.44,-1.93,;-4.1,-2.7,;-2.77,-1.93,;-2.77,-.39,;-4.1,.38,;-4.1,1.92,;-5.44,-.39,;-6.77,.38,;-1.44,-2.7,;-1.44,-4.24,;-.1,-5.01,;1.23,-4.24,;2.56,-5.01,;3.9,-4.24,;3.9,-2.7,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,;2.56,-1.93,;2.56,-.39,;1.23,.38,;-.1,-.39,;-1.44,.38,;-1.44,1.92,;-2.77,2.7,;-2.77,4.24,;-4.1,5.01,;-1.44,5.01,;-.1,4.24,;1.23,5.01,;-.1,2.69,;1.23,1.92,;1.23,-2.7,;-.1,-1.92,)|
Show InChI InChI=1S/C30H36ClN3O4/c1-34(11-12-35)17-18-3-8-22(9-4-18)33-28-23-13-20(21-14-25(31)30(37)27(15-21)38-2)7-10-26(23)32-16-24(28)29(36)19-5-6-19/h7,10,13-16,18-19,22,35,37H,3-6,8-9,11-12,17H2,1-2H3,(H,32,33)/t18-,22-
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n/an/a 1.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177275
PNG
(US9120749, 641)
Show SMILES CC(C)C(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C28H27Cl2N3O2/c1-16(2)27(34)22-14-31-25-10-7-18(19-12-23(29)28(35)24(30)13-19)11-21(25)26(22)32-20-8-5-17(6-9-20)15-33(3)4/h5-14,16,35H,15H2,1-4H3,(H,31,32)
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n/an/a 7.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177282
PNG
(US9120749, 648)
Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
Show InChI InChI=1S/C29H27ClFN5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)/t19-/m0/s1
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n/an/a 1.90n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177293
PNG
(US9120749, 659)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCCC4)nc3)c2c1
Show InChI InChI=1S/C30H29ClN4O3/c1-38-27-14-20(13-25(31)30(27)37)19-6-9-26-23(12-19)28(24(16-33-26)29(36)18-4-5-18)34-21-7-8-22(32-15-21)17-35-10-2-3-11-35/h6-9,12-16,18,37H,2-5,10-11,17H2,1H3,(H,33,34)
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n/an/a 13n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177307
PNG
(US9120749, 673)
Show SMILES CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:8.11,4.4,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5.01,;-3.44,2.69,;-2.1,1.92,;-2.1,3.46,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.93,;.56,-2.7,;-3.44,-1.93,;-3.44,-.39,;-4.77,.38,;-4.77,1.92,;-6.1,-.39,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.7,;-4.77,-2.7,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
Show InChI InChI=1S/C28H31ClFN3O3/c1-33(2)15-28(36)9-7-19(8-10-28)32-25-20-11-17(18-12-22(29)27(35)23(30)13-18)5-6-24(20)31-14-21(25)26(34)16-3-4-16/h5-6,11-14,16,19,35-36H,3-4,7-10,15H2,1-2H3,(H,31,32)/t19-,28+
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n/an/a 4.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177317
PNG
(US9120749, 683)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CN4CCN(C)CC4)nc3)c2c1
Show InChI InChI=1S/C31H32ClN5O3/c1-36-9-11-37(12-10-36)18-23-7-6-22(16-33-23)35-29-24-13-20(21-14-26(32)31(39)28(15-21)40-2)5-8-27(24)34-17-25(29)30(38)19-3-4-19/h5-8,13-17,19,39H,3-4,9-12,18H2,1-2H3,(H,34,35)
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n/an/a 16n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177324
PNG
(US9120749, 690)
Show SMILES CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C30H29Cl2N5O2/c1-36(2)21-9-10-37(16-21)27-8-6-20(14-34-27)35-28-22-11-18(19-12-24(31)30(39)25(32)13-19)5-7-26(22)33-15-23(28)29(38)17-3-4-17/h5-8,11-15,17,21,39H,3-4,9-10,16H2,1-2H3,(H,33,35)
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n/an/a 4.70n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177332
PNG
(US9120749, 698)
Show SMILES CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)c1
Show InChI InChI=1S/C29H27Cl2N3O2/c1-34(2)11-10-17-4-3-5-21(12-17)33-27-22-13-19(20-14-24(30)29(36)25(31)15-20)8-9-26(22)32-16-23(27)28(35)18-6-7-18/h3-5,8-9,12-16,18,36H,6-7,10-11H2,1-2H3,(H,32,33)
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n/an/a 2.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177352
PNG
(US9120749, 718)
Show SMILES CN(C)C[C@@H]1CC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r|
Show InChI InChI=1S/C25H27Cl2N3O2/c1-14(31)20-12-28-23-7-5-16(17-10-21(26)25(32)22(27)11-17)9-19(23)24(20)29-18-6-4-15(8-18)13-30(2)3/h5,7,9-12,15,18,32H,4,6,8,13H2,1-3H3,(H,28,29)/t15-,18-/m1/s1
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n/an/a 5.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177359
PNG
(US9120749, 725)
Show SMILES NC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(F)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C29H27F2N5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)
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n/an/a 3n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177362
PNG
(US9120749, 728)
Show SMILES CN1CCN(C[C@@H]2CC[C@H](C2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r|
Show InChI InChI=1S/C28H32Cl2N4O2/c1-17(35)23-15-31-26-6-4-19(20-13-24(29)28(36)25(30)14-20)12-22(26)27(23)32-21-5-3-18(11-21)16-34-9-7-33(2)8-10-34/h4,6,12-15,18,21,36H,3,5,7-11,16H2,1-2H3,(H,31,32)/t18-,21-/m1/s1
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n/an/a 5.70n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177363
PNG
(US9120749, 729)
Show SMILES CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)c1
Show InChI InChI=1S/C27H25Cl2N3O2/c1-16(33)22-15-30-25-8-7-18(19-13-23(28)27(34)24(29)14-19)12-21(25)26(22)31-20-6-4-5-17(11-20)9-10-32(2)3/h4-8,11-15,34H,9-10H2,1-3H3,(H,30,31)
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n/an/a 2.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177372
PNG
(US9120749, 738)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CCN(C)C)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-2.82,;-6,-3.59,;-4.67,-2.82,;-3.33,-3.59,;-2,-2.82,;-2,-1.28,;-3.33,-.51,;-3.33,1.03,;-4.67,-1.28,;-6,-.51,;-.67,-3.59,;-.67,-5.13,;.67,-5.9,;2,-5.13,;3.33,-5.9,;4.67,-5.13,;4.67,-3.59,;6,-2.82,;7.34,-3.59,;6,-1.28,;3.33,-2.82,;3.33,-1.03,;2,-.26,;2,1.28,;.67,2.05,;-.67,1.28,;-2,2.05,;-2,3.59,;-3.33,4.36,;-4.67,3.59,;-3.33,5.9,;-.67,-.26,;.67,-1.03,;2,-3.59,;.67,-2.82,)|
Show InChI InChI=1S/C28H34ClN3O3/c1-17(33)23-16-30-25-10-7-19(20-14-24(29)28(34)26(15-20)35-4)13-22(25)27(23)31-21-8-5-18(6-9-21)11-12-32(2)3/h7,10,13-16,18,21,34H,5-6,8-9,11-12H2,1-4H3,(H,30,31)/t18-,21-
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n/an/a 2.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177373
PNG
(US9120749, 739 | US9120749, 740)
Show SMILES CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-5.33,3.59,;-4,4.36,;-4,5.9,;-2.67,3.59,;-2.67,2.05,;-1.33,1.28,;,2.05,;1.33,1.28,;1.33,-.26,;,-1.03,;-1.33,-.26,;2.67,-1.03,;2.67,-2.82,;4,-3.59,;4,-5.13,;2.67,-5.9,;1.33,-5.13,;,-5.9,;-1.33,-5.13,;-1.33,-3.59,;,-2.82,;1.33,-3.59,;-2.67,-2.82,;-2.67,-1.28,;-4,-.51,;-4,1.03,;-5.33,-1.28,;-6.67,-.51,;-5.33,-2.82,;-6.67,-3.59,;-4,-3.59,;5.33,-2.82,;6.67,-3.59,;5.33,-1.28,)|
Show InChI InChI=1S/C27H31Cl2N3O2/c1-16(33)22-15-30-25-9-6-18(19-13-23(28)27(34)24(29)14-19)12-21(25)26(22)31-20-7-4-17(5-8-20)10-11-32(2)3/h6,9,12-15,17,20,34H,4-5,7-8,10-11H2,1-3H3,(H,30,31)/t17-,20-
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n/an/a 1.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177375
PNG
(US9120749, 741 | US9120749, 742)
Show SMILES CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-5.33,3.59,;-4,4.36,;-4,5.9,;-2.67,3.59,;-2.67,2.05,;-1.33,1.28,;,2.05,;1.33,1.28,;1.33,-.26,;,-1.03,;-1.33,-.26,;2.67,-1.03,;2.67,-2.82,;4,-3.59,;4,-5.13,;2.67,-5.9,;1.33,-5.13,;,-5.9,;-1.33,-5.13,;-1.33,-3.59,;,-2.82,;1.33,-3.59,;-2.67,-2.82,;-2.67,-1.28,;-4,-.51,;-4,1.03,;-5.33,-1.28,;-6.67,-.51,;-5.33,-2.82,;-6.67,-3.59,;-4,-3.59,;5.33,-2.82,;6.67,-3.59,;5.33,-1.28,)|
Show InChI InChI=1S/C27H31ClFN3O2/c1-16(33)22-15-30-25-9-6-18(19-13-23(28)27(34)24(29)14-19)12-21(25)26(22)31-20-7-4-17(5-8-20)10-11-32(2)3/h6,9,12-15,17,20,34H,4-5,7-8,10-11H2,1-3H3,(H,30,31)/t17-,20-
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n/an/a 4.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177380
PNG
(US9120749, 746)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NCCN(C)C)nc3)c2c1
Show InChI InChI=1S/C29H30ClN5O3/c1-35(2)11-10-31-26-9-7-20(15-33-26)34-27-21-12-18(19-13-23(30)29(37)25(14-19)38-3)6-8-24(21)32-16-22(27)28(36)17-4-5-17/h6-9,12-17,37H,4-5,10-11H2,1-3H3,(H,31,33)(H,32,34)
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n/an/a 2.90n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177388
PNG
(US9120749, 754)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@@H](CC1)N(C)C)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.23,wD:15.16,(7.34,-2.15,;6,-2.92,;4.67,-2.15,;4.67,-.61,;3.33,-2.92,;3.33,-4.46,;2,-5.23,;.67,-4.46,;-.67,-5.23,;-2,-4.46,;-2,-2.92,;-.67,-2.15,;.67,-2.92,;2,-2.15,;2,-.61,;.91,.48,;1.31,1.96,;.22,3.05,;-1.27,2.66,;-1.66,1.17,;-.58,.08,;-2.36,3.74,;-1.96,5.23,;-3.84,3.35,;-3.33,-2.15,;-3.33,-.61,;-4.67,.16,;-4.67,1.7,;-6,-.61,;-7.34,.16,;-6,-2.15,;-7.34,-2.92,;-4.67,-2.92,)|
Show InChI InChI=1S/C26H29Cl2N3O2/c1-4-24(32)20-14-29-23-10-5-15(16-12-21(27)26(33)22(28)13-16)11-19(23)25(20)30-17-6-8-18(9-7-17)31(2)3/h5,10-14,17-18,33H,4,6-9H2,1-3H3,(H,29,30)/t17-,18-
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n/an/a 20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177394
PNG
(US9120749, 760)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(N)C1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN5O2/c1-2-24(35)20-13-31-23-5-3-15(16-10-21(28)27(36)22(29)11-16)9-19(23)26(20)33-18-4-6-25(32-12-18)34-8-7-17(30)14-34/h3-6,9-13,17,36H,2,7-8,14,30H2,1H3,(H,31,33)
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n/an/a 3.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177397
PNG
(US9120749, 763)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:3.2,wD:6.9,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;.89,3.05,;1.98,1.96,;1.58,.48,;.09,.08,;-1,1.17,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-4,-2.92,;-5.33,-2.15,;-6.67,-2.92,;-5.33,-.61,;-6.67,.16,;-4,.16,;-4,1.7,;-2.67,-.61,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)|
Show InChI InChI=1S/C25H27ClFN3O2/c1-14(31)20-13-28-23-9-4-15(16-11-21(26)25(32)22(27)12-16)10-19(23)24(20)29-17-5-7-18(8-6-17)30(2)3/h4,9-13,17-18,32H,5-8H2,1-3H3,(H,28,29)/t17-,18-
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n/an/a 8.70n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177414
PNG
(US9120749, 780)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC(N)C4)CC3)c2c1 |r,wU:22.22,wD:25.26,(-7.46,-3.36,;-6.12,-4.13,;-4.79,-3.36,;-3.46,-4.13,;-2.12,-3.36,;-2.12,-1.82,;-3.46,-1.05,;-3.46,.49,;-4.79,-1.82,;-6.12,-1.05,;-.79,-4.13,;-.79,-5.67,;.55,-6.44,;1.88,-5.67,;3.21,-6.44,;4.55,-5.67,;4.55,-4.13,;5.88,-3.36,;7.21,-4.13,;5.88,-1.82,;3.21,-3.36,;3.21,-1.58,;1.88,-.81,;.55,-1.58,;-.79,-.81,;-.79,.73,;-2.12,1.5,;-2.12,3.04,;-3.46,3.81,;-3.46,5.35,;-.79,5.35,;.3,6.44,;-.79,3.81,;.55,1.5,;1.88,.73,;1.88,-4.13,;.55,-3.36,)|
Show InChI InChI=1S/C29H35ClN4O3/c1-17(35)24-14-32-26-8-5-19(20-12-25(30)29(36)27(13-20)37-2)11-23(26)28(24)33-22-6-3-18(4-7-22)15-34-10-9-21(31)16-34/h5,8,11-14,18,21-22,36H,3-4,6-7,9-10,15-16,31H2,1-2H3,(H,32,33)/t18-,21?,22-
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n/an/a 2n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177419
PNG
(US9120749, 785)
Show SMILES CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C27H25ClFN5O2/c1-15(35)21-13-31-24-5-3-16(17-10-22(28)27(36)23(29)11-17)9-20(24)26(21)33-18-4-6-25(32-12-18)34-8-7-19(14-34)30-2/h3-6,9-13,19,30,36H,7-8,14H2,1-2H3,(H,31,33)
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n/an/a 5.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177423
PNG
(US9120749, 789)
Show SMILES CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C29H27ClFN5O2/c1-32-20-8-9-36(15-20)26-7-5-19(13-34-26)35-27-21-10-17(18-11-23(30)29(38)24(31)12-18)4-6-25(21)33-14-22(27)28(37)16-2-3-16/h4-7,10-14,16,20,32,38H,2-3,8-9,15H2,1H3,(H,33,35)
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n/an/a 2.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177435
PNG
(US9120749, 801 | US9120749, 802)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C29H27Cl2N3O2/c1-18(35)24-17-32-27-8-7-20(21-15-25(30)29(36)26(31)16-21)14-23(27)28(24)33-22-6-4-5-19(13-22)9-12-34-10-2-3-11-34/h4-8,13-17,36H,2-3,9-12H2,1H3,(H,32,33)
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n/an/a 2.10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177438
PNG
(US9120749, 804)
Show SMILES CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C29H27Cl2N5O2/c1-32-20-8-9-36(15-20)26-7-5-19(13-34-26)35-27-21-10-17(18-11-23(30)29(38)24(31)12-18)4-6-25(21)33-14-22(27)28(37)16-2-3-16/h4-7,10-14,16,20,32,38H,2-3,8-9,15H2,1H3,(H,33,35)
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n/an/a 2n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177441
PNG
(US9120749, 807)
Show SMILES CNC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C30H29Cl2N5O2/c1-33-21-3-2-10-37(16-21)27-9-7-20(14-35-27)36-28-22-11-18(19-12-24(31)30(39)25(32)13-19)6-8-26(22)34-15-23(28)29(38)17-4-5-17/h6-9,11-15,17,21,33,39H,2-5,10,16H2,1H3,(H,34,36)
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n/an/a 1.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177440
PNG
(US9120749, 806 | US9120749, 815)
Show SMILES CNC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C28H27ClFN5O2/c1-16(36)22-14-32-25-7-5-17(18-11-23(29)28(37)24(30)12-18)10-21(25)27(22)34-19-6-8-26(33-13-19)35-9-3-4-20(15-35)31-2/h5-8,10-14,20,31,37H,3-4,9,15H2,1-2H3,(H,32,34)
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n/an/a 1.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177460
PNG
(US9120749, 826)
Show SMILES CN(C)C[C@@H]1CCC[C@@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
Show InChI InChI=1S/C26H29ClFN3O2/c1-15(32)21-13-29-24-8-7-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-6-4-5-16(9-19)14-31(2)3/h7-8,10-13,16,19,33H,4-6,9,14H2,1-3H3,(H,29,30)/t16-,19+/m1/s1
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n/an/a 8.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177480
PNG
(US9120749, 846)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.71,;6,-3.48,;4.67,-2.71,;4.67,-1.17,;3.33,-3.48,;3.33,-5.02,;2,-5.79,;.67,-5.02,;-.67,-5.79,;-2,-5.02,;-2,-3.48,;-.67,-2.71,;.67,-3.48,;2,-2.71,;2,-1.2,;.67,-.43,;-.67,-1.2,;-2,-.43,;-2,1.11,;-3.33,1.88,;-3.33,3.42,;-2.09,4.33,;-2.56,5.79,;-4.1,5.79,;-4.58,4.33,;-.67,1.88,;.67,1.11,;-3.33,-2.71,;-3.33,-1.17,;-4.67,-.4,;-4.67,.94,;-6,-1.17,;-7.34,-.4,;-6,-2.71,;-7.34,-3.48,;-4.67,-3.48,)|
Show InChI InChI=1S/C29H33ClFN3O2/c1-2-27(35)23-16-32-26-10-7-19(20-14-24(30)29(36)25(31)15-20)13-22(26)28(23)33-21-8-5-18(6-9-21)17-34-11-3-4-12-34/h7,10,13-16,18,21,36H,2-6,8-9,11-12,17H2,1H3,(H,32,33)/t18-,21-
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n/an/a 2.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177482
PNG
(US9120749, 848)
Show SMILES CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C26H24ClFN4O3/c1-15(33)20-14-29-23-6-4-16(17-11-21(27)26(34)22(28)12-17)10-19(23)25(20)31-18-5-7-24(30-13-18)35-9-8-32(2)3/h4-7,10-14,34H,8-9H2,1-3H3,(H,29,31)
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n/an/a 11n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM177502
PNG
(US9120749, 869)
Show SMILES CCN(CC)CCO[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-1.47,5.39,;-2.8,6.16,;-4.13,5.39,;-5.47,6.16,;-6.8,5.39,;-4.13,3.85,;-2.8,3.08,;-2.8,1.54,;-1.47,.77,;-1.47,-.77,;-.13,-1.54,;1.2,-.77,;1.2,.77,;-.13,1.54,;2.53,-1.54,;2.53,-3.05,;3.87,-3.82,;3.87,-5.36,;2.53,-6.13,;1.2,-5.36,;-.13,-6.13,;-1.47,-5.36,;-1.47,-3.82,;-.13,-3.05,;1.2,-3.82,;-2.8,-3.05,;-2.8,-1.51,;-4.13,-.74,;-4.13,.6,;-5.47,-1.51,;-6.8,-.74,;-5.47,-3.05,;-6.8,-3.82,;-4.13,-3.82,;5.2,-3.05,;6.53,-3.82,;5.2,-1.51,)|
Show InChI InChI=1S/C29H35ClFN3O3/c1-4-34(5-2)12-13-37-22-9-7-21(8-10-22)33-28-23-14-19(20-15-25(30)29(36)26(31)16-20)6-11-27(23)32-17-24(28)18(3)35/h6,11,14-17,21-22,36H,4-5,7-10,12-13H2,1-3H3,(H,32,33)/t21-,22-
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n/an/a 10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...

US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%