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Patent code US9067937

Compile Data Set for Download or QSAR
Found 113 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))		BDBM166100
PNG
(US9067937, 44)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)CO |r,wU:7.10,wD:4.3,(-4.67,5,;-3.33,4.23,;-2,5,;-3.33,2.69,;-2,1.93,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;2,-.38,;2,-1.93,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,-.38,;-7.34,.38,;-6,-1.93,;-7.34,-2.69,;-4.67,-2.69,;4.67,-1.93,;4.67,-.38,;6,-2.69,;7.34,-1.93,)|
Show InChI InChI=1S/C25H28Cl2N4O3/c1-31(2)12-14-3-5-16(6-4-14)29-23-17(22(33)13-32)11-28-21-8-7-20(30-24(21)23)15-9-18(26)25(34)19(27)10-15/h7-11,14,16,32,34H,3-6,12-13H2,1-2H3,(H,28,29)/t14-,16-
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n/an/a 0.300n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166059
PNG
(US9067937, 2)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.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/C24H26Cl2N4O2/c1-13(31)17-12-27-21-9-8-20(14-10-18(25)24(32)19(26)11-14)29-23(21)22(17)28-15-4-6-16(7-5-15)30(2)3/h8-12,15-16,32H,4-7H2,1-3H3,(H,27,28)/t15-,16-
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n/an/a 0.300n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166117
PNG
(US9067937, 61)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)|
Show InChI InChI=1S/C27H30Cl2N4O2/c1-16(34)20-14-30-24-9-8-23(18-12-21(28)27(35)22(29)13-18)32-26(24)25(20)31-19-6-4-17(5-7-19)15-33-10-2-3-11-33/h8-9,12-14,17,19,35H,2-7,10-11,15H2,1H3,(H,30,31)/t17-,19-
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n/an/a 0.400n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM60438
PNG
(US9067937, 28)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.06,4.84,;-1.29,3.5,;.2,3.9,;-1.69,2.02,;-.6,.93,;-1,-.56,;.09,-1.65,;1.58,-1.25,;1.98,.24,;.89,1.33,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;4,-6.19,;2.67,-6.96,;1.33,-6.19,;,-6.96,;-1.33,-6.19,;-1.33,-4.65,;,-3.88,;1.33,-4.65,;-2.67,-3.88,;-2.67,-2.34,;-4,-1.57,;-4,-.03,;-5.33,-2.34,;-6.67,-1.57,;-5.33,-3.88,;-6.67,-4.65,;-4,-4.65,;5.33,-3.88,;6.67,-4.65,;5.33,-2.34,)|
Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-
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n/an/a 0.400n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166154
PNG
(US9067937, 202)
Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
Show InChI InChI=1S/C28H26ClFN6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166061
PNG
(US9067937, 4)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-3.44,-.38,;-4.77,.38,;-4.77,1.93,;-6.1,-.38,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.69,;-4.77,-2.69,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
Show InChI InChI=1S/C27H30Cl2N4O2/c1-33(2)14-15-3-7-18(8-4-15)31-24-19(26(34)16-5-6-16)13-30-23-10-9-22(32-25(23)24)17-11-20(28)27(35)21(29)12-17/h9-13,15-16,18,35H,3-8,14H2,1-2H3,(H,30,31)/t15-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166137
PNG
(US9067937, 81)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-4.77,-2.92,;-6.1,-2.15,;-7.44,-2.92,;-6.1,-.61,;-7.44,.16,;-4.77,.16,;-4.77,1.7,;-3.44,-.61,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
Show InChI InChI=1S/C26H28ClFN4O2/c1-32(2)17-7-5-16(6-8-17)30-23-18(25(33)14-3-4-14)13-29-22-10-9-21(31-24(22)23)15-11-19(27)26(34)20(28)12-15/h9-14,16-17,34H,3-8H2,1-2H3,(H,29,30)/t16-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166072
PNG
(US9067937, 15)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.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,;6.1,-.82,;4.56,-.82,)|
Show InChI InChI=1S/C23H26Cl2N4O3S/c1-29(2)15-6-4-14(5-7-15)27-22-20(33(3,31)32)12-26-19-9-8-18(28-21(19)22)13-10-16(24)23(30)17(25)11-13/h8-12,14-15,30H,4-7H2,1-3H3,(H,26,27)/t14-,15-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166127
PNG
(US9067937, 71)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C26H24Cl2N6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)/t16-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166145
PNG
(US9067937, 89)
Show SMILES CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.6,wD:3.2,(,6.16,;1.33,5.39,;2.67,6.16,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;5.33,-3.08,;6.67,-3.85,;5.33,-1.54,;2.67,1.54,;2.67,3.08,)|
Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-13-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-12-15-4-6-17(7-5-15)31(2)3/h8-11,13,15,17,33H,4-7,12H2,1-3H3,(H,28,29)/t15-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166136
PNG
(US9067937, 80)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
Show InChI InChI=1S/C26H28Cl2N4O2/c1-32(2)17-7-5-16(6-8-17)30-23-18(25(33)14-3-4-14)13-29-22-10-9-21(31-24(22)23)15-11-19(27)26(34)20(28)12-15/h9-14,16-17,34H,3-8H2,1-2H3,(H,29,30)/t16-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166150
PNG
(US9067937, 94)
Show SMILES CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,4.3,(-4,5,;-2.67,4.23,;-1.33,5.01,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.92,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.93,;1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.7,;-5.33,-.39,;-6.67,.38,;-4,.38,;-4,1.92,;-2.67,-.39,;5.33,-1.93,;6.67,-2.7,;5.33,-.39,)|
Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17+
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n/an/a 0.600n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166104
PNG
(US9067937, 48)
Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C26H30Cl2N4O3/c1-15(34)19-13-29-23-8-7-22(17-11-20(27)26(35)21(28)12-17)31-25(23)24(19)30-18-5-3-16(4-6-18)14-32(2)9-10-33/h7-8,11-13,16,18,33,35H,3-6,9-10,14H2,1-2H3,(H,29,30)/t16-,18-
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n/an/a 0.600n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166126
PNG
(US9067937, 70)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;-2.67,6.16,;-4,5.39,;-4,3.85,;-1.33,-.77,;,-1.54,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,)|
Show InChI InChI=1S/C27H31Cl2N5O2/c1-16(35)20-14-31-24-7-6-23(18-12-21(28)27(36)22(29)13-18)33-26(24)25(20)32-19-4-2-17(3-5-19)15-34-10-8-30-9-11-34/h6-7,12-14,17,19,30,36H,2-5,8-11,15H2,1H3,(H,31,32)/t17-,19-
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n/an/a 0.600n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166066
PNG
(US9067937, 9)
Show SMILES CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4,5.78,;-4,4.23,;-5.33,3.47,;-2.67,3.47,;-2.67,1.93,;-1.33,1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;4,-5,;2.67,-5.78,;1.33,-5,;,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-5.33,-2.69,;-6.67,-3.47,;-4,-3.47,;5.33,-2.69,;6.67,-3.47,;5.33,-1.15,)|
Show InChI InChI=1S/C26H30Cl2N4O2/c1-15(33)19-14-29-23-9-8-22(17-12-20(27)26(34)21(28)13-17)31-25(23)24(19)30-18-6-4-16(5-7-18)10-11-32(2)3/h8-9,12-14,16,18,34H,4-7,10-11H2,1-3H3,(H,29,30)/t16-,18-
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n/an/a 0.700n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166084
PNG
(US9067937, 27)
Show SMILES CN1CCC(CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1
Show InChI InChI=1S/C23H24Cl2N4O2/c1-13(30)16-12-26-20-4-3-19(15-9-17(24)23(31)18(25)10-15)28-22(20)21(16)27-11-14-5-7-29(2)8-6-14/h3-4,9-10,12,14,31H,5-8,11H2,1-2H3,(H,26,27)
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n/an/a 0.700n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166062
PNG
(US9067937, 5)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-6.1,-.38,;-7.44,.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
Show InChI InChI=1S/C27H30ClFN4O2/c1-33(2)14-15-3-7-18(8-4-15)31-24-19(26(34)16-5-6-16)13-30-23-10-9-22(32-25(23)24)17-11-20(28)27(35)21(29)12-17/h9-13,15-16,18,35H,3-8,14H2,1-2H3,(H,30,31)/t15-,18-
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n/an/a 0.800n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166119
PNG
(US9067937, 63)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.5,wD:9.12,(-2.67,6.93,;-2.67,5.39,;-1.33,4.62,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;2.67,-2.31,;2.67,-3.85,;4,-4.62,;4,-6.16,;2.67,-6.93,;1.33,-6.16,;,-6.93,;-1.33,-6.16,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;-2.67,-3.85,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,-2.31,;-6.67,-1.54,;-5.33,-3.85,;-6.67,-4.62,;-4,-4.62,;5.33,-3.85,;6.67,-4.62,;5.33,-2.31,;-4,3.08,;-4,4.62,)|
Show InChI InChI=1S/C28H33Cl2N5O2/c1-17(36)21-15-31-25-8-7-24(19-13-22(29)28(37)23(30)14-19)33-27(25)26(21)32-20-5-3-18(4-6-20)16-35-11-9-34(2)10-12-35/h7-8,13-15,18,20,37H,3-6,9-12,16H2,1-2H3,(H,31,32)/t18-,20-
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n/an/a 0.800n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166118
PNG
(US9067937, 62)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;1.33,1.13,;,1.9,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-1.33,-.41,;,-1.18,;-2.67,-2.72,;-4,-3.49,;-5.33,-2.72,;-6.67,-3.49,;-5.33,-1.18,;-6.67,-.41,;-4,-.41,;-4,1.13,;-2.67,-1.18,)|
Show InChI InChI=1S/C27H30ClFN4O2/c1-16(34)20-14-30-24-9-8-23(18-12-21(28)27(35)22(29)13-18)32-26(24)25(20)31-19-6-4-17(5-7-19)15-33-10-2-3-11-33/h8-9,12-14,17,19,35H,2-7,10-11,15H2,1H3,(H,30,31)/t17-,19-
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n/an/a 0.900n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166071
PNG
(US9067937, 14)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1)S(C)(=O)=O |r,wU:19.19,wD:22.23,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.93,;6,-1.93,;7.34,-2.69,;6.77,-.59,;5.23,-.59,)|
Show InChI InChI=1S/C25H31ClN4O4S/c1-30(2)14-15-5-7-17(8-6-15)28-24-22(35(4,32)33)13-27-20-10-9-19(29-23(20)24)16-11-18(26)25(31)21(12-16)34-3/h9-13,15,17,31H,5-8,14H2,1-4H3,(H,27,28)/t15-,17-
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n/an/a 0.900n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166153
PNG
(US9067937, 201)
Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
Show InChI InChI=1S/C28H26Cl2N6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m1/s1
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n/an/a 0.930n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166131
PNG
(US9067937, 75)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.22,23.25,wD:14.15,(6.67,-3.79,;5.33,-3.02,;5.33,-1.48,;4,-3.79,;4,-5.33,;2.67,-6.1,;1.33,-5.33,;,-6.1,;-1.33,-5.33,;-1.33,-3.79,;,-3.02,;1.33,-3.79,;2.67,-3.02,;2.67,-1.31,;1.33,-.54,;1.33,1,;,1.77,;-1.33,1,;-1.33,-.54,;,-1.31,;-2.67,1.77,;-2.67,3.31,;-4,4.08,;-1.33,4.08,;.13,3.61,;1.04,4.85,;.13,6.1,;-1.33,5.62,;-2.67,-3.02,;-2.67,-1.48,;-4,-.71,;-4,.83,;-5.33,-1.48,;-6.67,-.71,;-5.33,-3.02,;-6.67,-3.79,;-4,-3.79,)|
Show InChI InChI=1S/C27H29Cl2N5O3/c1-14(35)18-13-31-22-9-8-21(15-11-19(28)26(36)20(29)12-15)34-25(22)24(18)32-16-4-6-17(7-5-16)33-27(37)23-3-2-10-30-23/h8-9,11-13,16-17,23,30,36H,2-7,10H2,1H3,(H,31,32)(H,33,37)/t16-,17-,23-/m0/s1
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n/an/a 1n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166069
PNG
(US9067937, 12)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;6.1,-.59,;4.56,-.59,)|
Show InChI InChI=1S/C24H28Cl2N4O3S/c1-30(2)13-14-4-6-16(7-5-14)28-23-21(34(3,32)33)12-27-20-9-8-19(29-22(20)23)15-10-17(25)24(31)18(26)11-15/h8-12,14,16,31H,4-7,13H2,1-3H3,(H,27,28)/t14-,16-
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n/an/a 1n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166139
PNG
(US9067937, 83)
Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
Show InChI InChI=1S/C28H26ClFN6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166105
PNG
(US9067937, 49)
Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C26H30ClFN4O3/c1-15(34)19-13-29-23-8-7-22(17-11-20(27)26(35)21(28)12-17)31-25(23)24(19)30-18-5-3-16(4-6-18)14-32(2)9-10-33/h7-8,11-13,16,18,33,35H,3-6,9-10,14H2,1-2H3,(H,29,30)/t16-,18-
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n/an/a 1n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166063
PNG
(US9067937, 6)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-
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n/an/a 1.10n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166165
PNG
(US9067937, 213)
Show SMILES CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26ClFN6O2/c1-2-23(36)18-13-31-22-7-6-21(15-10-19(28)27(37)20(29)11-15)34-26(22)25(18)33-17-5-8-24(32-12-17)35-9-3-4-16(30)14-35/h5-8,10-13,16,37H,2-4,9,14,30H2,1H3,(H,31,33)/t16-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166149
PNG
(US9067937, 93)
Show SMILES CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C25H28ClFN4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17+
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166120
PNG
(US9067937, 64)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C26H24Cl2N6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166125
PNG
(US9067937, 69)
Show SMILES CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-.49,6.72,;.6,5.63,;2.08,6.03,;.2,4.14,;1.29,3.05,;-1.29,3.74,;-2.38,4.83,;-1.69,2.26,;-.6,1.17,;-1,-.32,;.09,-1.41,;1.58,-1.01,;1.98,.48,;.89,1.57,;2.67,-2.1,;2.67,-3.64,;4,-4.41,;4,-5.95,;2.67,-6.72,;1.33,-5.95,;,-6.72,;-1.33,-5.95,;-1.33,-4.41,;,-3.64,;1.33,-4.41,;-2.67,-3.64,;-4,-4.41,;-5.33,-3.64,;-6.67,-4.41,;-5.33,-2.1,;-6.67,-1.33,;-4,-1.33,;-4,.21,;-2.67,-2.1,;5.33,-3.64,;6.67,-4.41,;5.33,-2.1,)|
Show InChI InChI=1S/C27H31ClFN5O3/c1-13(2)23(30)27(37)33-17-6-4-16(5-7-17)32-24-18(14(3)35)12-31-22-9-8-21(34-25(22)24)15-10-19(28)26(36)20(29)11-15/h8-13,16-17,23,36H,4-7,30H2,1-3H3,(H,31,32)(H,33,37)/t16-,17-,23?
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166060
PNG
(US9067937, 3)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.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/C24H26ClFN4O2/c1-13(31)17-12-27-21-9-8-20(14-10-18(25)24(32)19(26)11-14)29-23(21)22(17)28-15-4-6-16(7-5-15)30(2)3/h8-12,15-16,32H,4-7H2,1-3H3,(H,27,28)/t15-,16-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166096
PNG
(US9067937, 40)
Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
Show InChI InChI=1S/C28H26Cl2N6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166113
PNG
(US9067937, 57)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cnc(nc1)C#N)C(C)=O |r,wU:4.3,wD:7.10,(-.67,5,;-2,4.23,;-3.33,5,;-2,2.69,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,-.38,;-.67,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;4.67,-4.23,;3.33,-5,;2,-4.23,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-7.34,1.15,;6,-1.93,;7.34,-2.69,;6,-.38,)|
Show InChI InChI=1S/C24H27N7O/c1-15(32)19-13-26-21-9-8-20(17-11-27-22(10-25)28-12-17)30-24(21)23(19)29-18-6-4-16(5-7-18)14-31(2)3/h8-9,11-13,16,18H,4-7,14H2,1-3H3,(H,26,29)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166123
PNG
(US9067937, 67)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-1.71,;5.33,-.94,;5.33,.6,;4,-1.71,;4,-3.25,;2.67,-4.02,;1.33,-3.25,;,-4.02,;-1.33,-3.25,;-1.33,-1.71,;,-.94,;1.33,-1.71,;2.67,-.94,;2.67,.94,;1.33,1.71,;1.33,3.25,;,4.02,;-1.33,3.25,;-2.67,4.02,;-1.33,1.71,;,.94,;-2.67,-.94,;-4,-1.71,;-5.33,-.94,;-6.67,-1.71,;-5.33,.6,;-6.67,1.37,;-4,1.37,;-4,2.91,;-2.67,.6,)|
Show InChI InChI=1S/C22H22ClFN4O2/c1-11(29)15-10-26-19-7-6-18(12-8-16(23)22(30)17(24)9-12)28-21(19)20(15)27-14-4-2-13(25)3-5-14/h6-10,13-14,30H,2-5,25H2,1H3,(H,26,27)/t13-,14-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166064
PNG
(US9067937, 7)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C25H28ClFN4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166156
PNG
(US9067937, 204)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)CO |r,wU:7.10,wD:4.3,(-3.05,5.78,;-1.96,4.69,;-.47,5.09,;-2.36,3.2,;-1.27,2.11,;-1.66,.62,;-.58,-.47,;.91,-.07,;1.31,1.42,;.22,2.51,;2,-1.16,;2,-2.7,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,;4.67,-2.7,;4.67,-1.16,;6,-3.47,;7.34,-2.7,)|
Show InChI InChI=1S/C25H28ClFN4O3/c1-31(2)12-14-3-5-16(6-4-14)29-23-17(22(33)13-32)11-28-21-8-7-20(30-24(21)23)15-9-18(26)25(34)19(27)10-15/h7-11,14,16,32,34H,3-6,12-13H2,1-2H3,(H,28,29)/t14-,16-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166158
PNG
(US9067937, 206)
Show SMILES CCC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.7,;6,-3.47,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;-.58,-.47,;-1.66,.62,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;.22,2.51,;1.31,1.42,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
Show InChI InChI=1S/C26H30Cl2N4O2/c1-4-23(33)18-13-29-22-10-9-21(16-11-19(27)26(34)20(28)12-16)31-25(22)24(18)30-17-7-5-15(6-8-17)14-32(2)3/h9-13,15,17,34H,4-8,14H2,1-3H3,(H,29,30)/t15-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166166
PNG
(US9067937, 214)
Show SMILES CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26Cl2N6O2/c1-2-23(36)18-13-31-22-7-6-21(15-10-19(28)27(37)20(29)11-15)34-26(22)25(18)33-17-5-8-24(32-12-17)35-9-3-4-16(30)14-35/h5-8,10-13,16,37H,2-4,9,14,30H2,1H3,(H,31,33)/t16-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166067
PNG
(US9067937, 10)
Show SMILES CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4,5.78,;-4,4.23,;-5.33,3.47,;-2.67,3.47,;-2.67,1.93,;-1.33,1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;4,-5,;2.67,-5.78,;1.33,-5,;,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.69,;-4,-3.47,;-5.33,-2.69,;-6.67,-3.47,;-5.33,-1.15,;-6.67,-.38,;-4,-.38,;-4,1.15,;-2.67,-1.15,;5.33,-2.69,;6.67,-3.47,;5.33,-1.15,)|
Show InChI InChI=1S/C26H30ClFN4O2/c1-15(33)19-14-29-23-9-8-22(17-12-20(27)26(34)21(28)13-17)31-25(23)24(19)30-18-6-4-16(5-7-18)10-11-32(2)3/h8-9,12-14,16,18,34H,4-7,10-11H2,1-3H3,(H,29,30)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166162
PNG
(US9067937, 210)
Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CCC2)cn1 |r|
Show InChI InChI=1S/C29H28ClFN6O2/c30-21-11-17(12-22(31)29(21)39)23-7-8-24-27(36-23)26(20(14-33-24)28(38)16-3-1-4-16)35-19-6-9-25(34-13-19)37-10-2-5-18(32)15-37/h6-9,11-14,16,18,39H,1-5,10,15,32H2,(H,33,35)/t18-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166070
PNG
(US9067937, 13)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;6.1,-.59,;4.56,-.59,)|
Show InChI InChI=1S/C24H28ClFN4O3S/c1-30(2)13-14-4-6-16(7-5-14)28-23-21(34(3,32)33)12-27-20-9-8-19(29-22(20)23)15-10-17(25)24(31)18(26)11-15/h8-12,14,16,31H,4-7,13H2,1-3H3,(H,27,28)/t14-,16-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166065
PNG
(US9067937, 8)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1 |r,wU:22.22,wD:25.26,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.93,)|
Show InChI InChI=1S/C26H31ClN4O3/c1-15(32)19-13-28-22-10-9-21(17-11-20(27)26(33)23(12-17)34-4)30-25(22)24(19)29-18-7-5-16(6-8-18)14-31(2)3/h9-13,16,18,33H,5-8,14H2,1-4H3,(H,28,29)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166109
PNG
(US9067937, 53)
Show SMILES CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C26H24Cl2N6O2/c1-14(35)18-12-30-22-5-4-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-16-3-6-23(31-11-16)34-8-7-17(13-34)29-2/h3-6,9-12,17,29,36H,7-8,13H2,1-2H3,(H,30,32)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166155
PNG
(US9067937, 203)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)CO |r,wU:6.9,wD:3.2,(-3.84,3.35,;-2.36,3.74,;-1.96,5.23,;-1.27,2.66,;-1.66,1.17,;-.58,.08,;.91,.48,;1.31,1.96,;.22,3.05,;2,-.61,;2,-2.15,;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,;-3.33,-2.15,;-4.67,-2.92,;-6,-2.15,;-7.34,-2.92,;-6,-.61,;-7.34,.16,;-4.67,.16,;-4.67,1.7,;-3.33,-.61,;4.67,-2.15,;4.67,-.61,;6,-2.92,;7.34,-2.15,)|
Show InChI InChI=1S/C24H26Cl2N4O3/c1-30(2)15-5-3-14(4-6-15)28-22-16(21(32)12-31)11-27-20-8-7-19(29-23(20)22)13-9-17(25)24(33)18(26)10-13/h7-11,14-15,31,33H,3-6,12H2,1-2H3,(H,27,28)/t14-,15-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166088
PNG
(US9067937, 32)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.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,-.61,;5.33,-2.15,;6.67,-2.92,;6.1,-.82,;4.56,-.82,)|
Show InChI InChI=1S/C23H26ClFN4O3S/c1-29(2)15-6-4-14(5-7-15)27-22-20(33(3,31)32)12-26-19-9-8-18(28-21(19)22)13-10-16(24)23(30)17(25)11-13/h8-12,14-15,30H,4-7H2,1-3H3,(H,26,27)/t14-,15-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166164
PNG
(US9067937, 212)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CCC1 |r,wU:7.10,wD:4.3,(-4.94,5,;-3.61,4.23,;-2.28,5.01,;-3.61,2.69,;-2.28,1.92,;-2.28,.38,;-.94,-.39,;.39,.38,;.39,1.92,;-.94,2.69,;1.72,-.39,;1.72,-1.93,;3.06,-2.7,;3.06,-4.24,;1.72,-5.01,;.39,-4.24,;-.94,-5.01,;-2.28,-4.24,;-2.28,-2.7,;-.94,-1.93,;.39,-2.7,;-3.61,-1.93,;-4.94,-2.7,;-6.28,-1.93,;-7.61,-2.7,;-6.28,-.39,;-7.61,.38,;-4.94,.38,;-4.94,1.92,;-3.61,-.39,;4.39,-1.93,;4.39,-.39,;5.73,-2.7,;6.12,-4.18,;7.61,-3.78,;7.21,-2.3,)|
Show InChI InChI=1S/C28H32ClFN4O2/c1-34(2)15-16-6-8-19(9-7-16)32-25-20(27(35)17-4-3-5-17)14-31-24-11-10-23(33-26(24)25)18-12-21(29)28(36)22(30)13-18/h10-14,16-17,19,36H,3-9,15H2,1-2H3,(H,31,32)/t16-,19-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166159
PNG
(US9067937, 207)
Show SMILES CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26Cl2N6O2/c1-2-23(36)18-13-31-22-7-6-21(15-10-19(28)27(37)20(29)11-15)34-26(22)25(18)33-17-5-8-24(32-12-17)35-9-3-4-16(30)14-35/h5-8,10-13,16,37H,2-4,9,14,30H2,1H3,(H,31,33)/t16-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166135
PNG
(US9067937, 79)
Show SMILES CC(C)C(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:11.14,wD:8.7,(-.49,6.72,;.6,5.63,;2.08,6.03,;.2,4.14,;1.29,3.05,;-1.29,3.74,;-2.38,4.83,;-1.69,2.26,;-.6,1.17,;-1,-.32,;.09,-1.41,;1.58,-1.01,;1.98,.48,;.89,1.57,;2.67,-2.1,;2.67,-3.64,;4,-4.41,;4,-5.95,;2.67,-6.72,;1.33,-5.95,;,-6.72,;-1.33,-5.95,;-1.33,-4.41,;,-3.64,;1.33,-4.41,;-2.67,-3.64,;-2.67,-2.1,;-4,-1.33,;-4,.21,;-5.33,-2.1,;-6.67,-1.33,;-5.33,-3.64,;-6.67,-4.41,;-4,-4.41,;5.33,-3.64,;6.67,-4.41,;5.33,-2.1,)|
Show InChI InChI=1S/C27H31Cl2N5O3/c1-13(2)23(30)27(37)33-17-6-4-16(5-7-17)32-24-18(14(3)35)12-31-22-9-8-21(34-25(22)24)15-10-19(28)26(36)20(29)11-15/h8-13,16-17,23,36H,4-7,30H2,1-3H3,(H,31,32)(H,33,37)/t16-,17-,23?
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166097
PNG
(US9067937, 41)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1cnc(nc1)N1CCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C24H21Cl2N7O2/c1-12(34)16-10-28-20-3-2-19(13-6-17(25)23(35)18(26)7-13)32-22(20)21(16)31-15-8-29-24(30-9-15)33-5-4-14(27)11-33/h2-3,6-10,14,35H,4-5,11,27H2,1H3,(H,28,31)
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n/an/a 1.70n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166169
PNG
(US9067937, 217)
Show SMILES CC(C)C(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-2.7,;6,-3.47,;6,-5.01,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;1.31,1.42,;.22,2.51,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;-1.66,.62,;-.58,-.47,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
Show InChI InChI=1S/C27H32ClFN4O2/c1-15(2)26(34)19-13-30-23-10-9-22(17-11-20(28)27(35)21(29)12-17)32-25(23)24(19)31-18-7-5-16(6-8-18)14-33(3)4/h9-13,15-16,18,35H,5-8,14H2,1-4H3,(H,30,31)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166122
PNG
(US9067937, 66)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-1.71,;5.33,-.94,;5.33,.6,;4,-1.71,;4,-3.25,;2.67,-4.02,;1.33,-3.25,;,-4.02,;-1.33,-3.25,;-1.33,-1.71,;,-.94,;1.33,-1.71,;2.67,-.94,;2.67,.94,;1.33,1.71,;,.94,;-1.33,1.71,;-1.33,3.25,;-2.67,4.02,;,4.02,;1.33,3.25,;-2.67,-.94,;-2.67,.6,;-4,1.37,;-4,2.91,;-5.33,.6,;-6.67,1.37,;-5.33,-.94,;-6.67,-1.71,;-4,-1.71,)|
Show InChI InChI=1S/C22H22Cl2N4O2/c1-11(29)15-10-26-19-7-6-18(12-8-16(23)22(30)17(24)9-12)28-21(19)20(15)27-14-4-2-13(25)3-5-14/h6-10,13-14,30H,2-5,25H2,1H3,(H,26,27)/t13-,14-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166106
PNG
(US9067937, 50)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(F)c1)C(C)=O |r,wU:4.3,wD:7.10,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C25H28F2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166168
PNG
(US9067937, 216)
Show SMILES CC(C)C(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(7.34,-2.7,;6,-3.47,;6,-5.01,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;1.31,1.42,;.22,2.51,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;-1.66,.62,;-.58,-.47,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
Show InChI InChI=1S/C27H32Cl2N4O2/c1-15(2)26(34)19-13-30-23-10-9-22(17-11-20(28)27(35)21(29)12-17)32-25(23)24(19)31-18-7-5-16(6-8-18)14-33(3)4/h9-13,15-16,18,35H,5-8,14H2,1-4H3,(H,30,31)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166161
PNG
(US9067937, 209)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CC[C@@H](F)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,22.24,wD:17.19,(6.67,-4.16,;5.33,-3.39,;5.33,-1.85,;4,-4.16,;4,-5.7,;2.67,-6.47,;1.33,-5.7,;,-6.47,;-1.33,-5.7,;-1.33,-4.16,;,-3.39,;1.33,-4.16,;2.67,-3.39,;2.67,-1.85,;1.33,-1.08,;,-1.85,;-1.33,-1.08,;-1.33,.46,;-2.67,1.23,;-2.67,2.77,;-3.91,3.67,;-3.44,5.14,;-1.9,5.14,;-1.13,6.47,;-1.42,3.67,;,1.23,;1.33,.46,;-2.67,-3.39,;-4,-4.16,;-5.33,-3.39,;-6.67,-4.16,;-5.33,-1.85,;-6.67,-1.08,;-4,-1.08,;-4,.46,;-2.67,-1.85,)|
Show InChI InChI=1S/C27H29Cl2FN4O2/c1-15(35)20-12-31-24-7-6-23(17-10-21(28)27(36)22(29)11-17)33-26(24)25(20)32-19-4-2-16(3-5-19)13-34-9-8-18(30)14-34/h6-7,10-12,16,18-19,36H,2-5,8-9,13-14H2,1H3,(H,31,32)/t16-,18-,19-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166151
PNG
(US9067937, 95)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C26H24Cl2N6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)/t16-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166092
PNG
(US9067937, 36)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N1CCC(CCN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O2/c1-17(34)20-16-30-24-5-4-23(19-14-21(28)27(35)22(29)15-19)31-25(24)26(20)33-12-7-18(8-13-33)6-11-32-9-2-3-10-32/h4-5,14-16,18,35H,2-3,6-13H2,1H3
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166146
PNG
(US9067937, 90)
Show SMILES CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.6,wD:3.2,(,6.16,;1.33,5.39,;2.67,6.16,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-6.67,-3.85,;-5.33,-1.54,;-6.67,-.77,;-4,-.77,;-4,.77,;-2.67,-1.54,;5.33,-3.08,;6.67,-3.85,;5.33,-1.54,;2.67,1.54,;2.67,3.08,)|
Show InChI InChI=1S/C25H28ClFN4O2/c1-14(32)18-13-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-12-15-4-6-17(7-5-15)31(2)3/h8-11,13,15,17,33H,4-7,12H2,1-3H3,(H,28,29)/t15-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166132
PNG
(US9067937, 76)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,23.25,wD:17.22,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.58,-.45,;.09,-.85,;-1,.24,;-.6,1.72,;.89,2.12,;1.98,1.03,;-1.69,2.81,;-1.29,4.3,;-2.38,5.39,;.2,4.7,;1.44,3.79,;2.69,4.7,;2.21,6.16,;.67,6.16,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-6.67,-3.85,;-5.33,-1.54,;-6.67,-.77,;-4,-.77,;-4,.77,;-2.67,-1.54,)|
Show InChI InChI=1S/C27H29ClFN5O3/c1-14(35)18-13-31-22-9-8-21(15-11-19(28)26(36)20(29)12-15)34-25(22)24(18)32-16-4-6-17(7-5-16)33-27(37)23-3-2-10-30-23/h8-9,11-13,16-17,23,30,36H,2-7,10H2,1H3,(H,31,32)(H,33,37)/t16-,17-,23-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166085
PNG
(US9067937, 29)
Show SMILES CN(C)CCc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cc1
Show InChI InChI=1S/C26H24Cl2N4O2/c1-15(33)19-14-29-23-9-8-22(17-12-20(27)26(34)21(28)13-17)31-25(23)24(19)30-18-6-4-16(5-7-18)10-11-32(2)3/h4-9,12-14,34H,10-11H2,1-3H3,(H,29,30)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166130
PNG
(US9067937, 74)
Show SMILES CC(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(,3.7,;-1.33,4.47,;-1.33,6.01,;-2.67,3.7,;-4,4.47,;-2.67,2.16,;-1.33,1.39,;,2.16,;1.33,1.39,;1.33,-.15,;,-.92,;-1.33,-.15,;2.67,-.92,;2.67,-2.93,;4,-3.7,;4,-5.24,;2.67,-6.01,;1.33,-5.24,;,-6.01,;-1.33,-5.24,;-1.33,-3.7,;,-2.93,;1.33,-3.7,;-2.67,-2.93,;-4,-3.7,;-5.33,-2.93,;-6.67,-3.7,;-5.33,-1.39,;-6.67,-.62,;-4,-.62,;-4,.92,;-2.67,-1.39,;5.33,-2.93,;6.67,-3.7,;5.33,-1.39,)|
Show InChI InChI=1S/C25H27ClFN5O3/c1-12(28)25(35)31-16-5-3-15(4-6-16)30-22-17(13(2)33)11-29-21-8-7-20(32-23(21)22)14-9-18(26)24(34)19(27)10-14/h7-12,15-16,34H,3-6,28H2,1-2H3,(H,29,30)(H,31,35)/t12?,15-,16-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166124
PNG
(US9067937, 68)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:9.12,wD:6.5,(-.09,7.46,;-.49,5.98,;.6,4.89,;.2,3.4,;-1.29,3,;-1.69,1.51,;-.6,.42,;-1,-1.06,;.09,-2.15,;1.58,-1.75,;1.98,-.27,;.89,.82,;2.67,-2.84,;2.67,-4.38,;4,-5.15,;4,-6.69,;2.67,-7.46,;1.33,-6.69,;,-7.46,;-1.33,-6.69,;-1.33,-5.15,;,-4.38,;1.33,-5.15,;-2.67,-4.38,;-4,-5.15,;-5.33,-4.38,;-6.67,-5.15,;-5.33,-2.84,;-6.67,-2.07,;-4,-2.07,;-4,-.53,;-2.67,-2.84,;5.33,-4.38,;6.67,-5.15,;5.33,-2.84,;-2.38,4.09,;-1.98,5.58,)|
Show InChI InChI=1S/C28H33ClFN5O2/c1-17(36)21-15-31-25-8-7-24(19-13-22(29)28(37)23(30)14-19)33-27(25)26(21)32-20-5-3-18(4-6-20)16-35-11-9-34(2)10-12-35/h7-8,13-15,18,20,37H,3-6,9-12,16H2,1-2H3,(H,31,32)/t18-,20-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166160
PNG
(US9067937, 208)
Show SMILES CCC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26ClFN6O2/c1-2-23(36)18-13-31-22-7-6-21(15-10-19(28)27(37)20(29)11-15)34-26(22)25(18)33-17-5-8-24(32-12-17)35-9-3-4-16(30)14-35/h5-8,10-13,16,37H,2-4,9,14,30H2,1H3,(H,31,33)/t16-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166163
PNG
(US9067937, 211)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CCC1 |r,wU:7.10,wD:4.3,(-4.94,5,;-3.61,4.23,;-2.28,5,;-3.61,2.69,;-2.28,1.93,;-2.28,.38,;-.94,-.38,;.39,.38,;.39,1.93,;-.94,2.69,;1.72,-.38,;1.72,-1.93,;3.06,-2.69,;3.06,-4.23,;1.72,-5,;.39,-4.23,;-.94,-5,;-2.28,-4.23,;-2.28,-2.69,;-.94,-1.93,;.39,-2.69,;-3.61,-1.93,;-4.94,-2.69,;-6.28,-1.93,;-7.61,-2.69,;-6.28,-.38,;-7.61,.38,;-4.94,.38,;-4.94,1.93,;-3.61,-.38,;4.39,-1.93,;4.39,-.38,;5.73,-2.69,;6.12,-4.18,;7.61,-3.78,;7.21,-2.3,)|
Show InChI InChI=1S/C28H32Cl2N4O2/c1-34(2)15-16-6-8-19(9-7-16)32-25-20(27(35)17-4-3-5-17)14-31-24-11-10-23(33-26(24)25)18-12-21(29)28(36)22(30)13-18/h10-14,16-17,19,36H,3-9,15H2,1-2H3,(H,31,32)/t16-,19-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166068
PNG
(US9067937, 11)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(O)c(OC(F)(F)F)c1)C(C)=O |r,wU:7.10,wD:4.3,(-3.33,5.39,;-2,4.62,;-.67,5.39,;-2,3.08,;-.67,2.31,;-.67,.77,;.67,,;2,.77,;2,2.31,;.67,3.08,;3.33,,;3.33,-1.54,;4.67,-2.31,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;.67,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;-2,-1.54,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-4.67,-1.54,;-6,-2.31,;-6,-3.85,;-7.34,-4.62,;-4.67,-4.62,;-6,-5.39,;-3.33,-2.31,;6,-1.54,;7.34,-2.31,;6,,)|
Show InChI InChI=1S/C26H29F3N4O3/c1-15(34)19-13-30-21-10-9-20(17-6-11-22(35)23(12-17)36-26(27,28)29)32-25(21)24(19)31-18-7-4-16(5-8-18)14-33(2)3/h6,9-13,16,18,35H,4-5,7-8,14H2,1-3H3,(H,30,31)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166157
PNG
(US9067937, 205)
Show SMILES CCC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:15.16,wD:18.20,(7.34,-2.7,;6,-3.47,;4.67,-2.7,;4.67,-1.16,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;.67,-5.01,;-.67,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;.91,-.07,;-.58,-.47,;-1.66,.62,;-1.27,2.11,;-2.36,3.2,;-1.96,4.69,;-3.05,5.78,;-.47,5.09,;.22,2.51,;1.31,1.42,;-3.33,-2.7,;-4.67,-3.47,;-6,-2.7,;-7.34,-3.47,;-6,-1.16,;-7.34,-.39,;-4.67,-.39,;-4.67,1.15,;-3.33,-1.16,)|
Show InChI InChI=1S/C26H30ClFN4O2/c1-4-23(33)18-13-29-22-10-9-21(16-11-19(27)26(34)20(28)12-16)31-25(22)24(18)30-17-7-5-15(6-8-17)14-32(2)3/h9-13,15,17,34H,4-8,14H2,1-3H3,(H,29,30)/t15-,17-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166073
PNG
(US9067937, 16)
Show SMILES CN(C)Cc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H22Cl2N4O3S/c1-30(2)13-14-4-6-16(7-5-14)28-23-21(34(3,32)33)12-27-20-9-8-19(29-22(20)23)15-10-17(25)24(31)18(26)11-15/h4-12,31H,13H2,1-3H3,(H,27,28)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166099
PNG
(US9067937, 43)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-2.31,;5.33,-1.54,;5.33,,;4,-2.31,;4,-3.85,;2.67,-4.62,;1.33,-3.85,;,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.08,;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,.77,;;-2.67,-1.54,;-2.67,,;-4,.77,;-4,2.31,;-5.33,,;-6.67,.77,;-5.33,-1.54,;-6.67,-2.31,;-4,-2.31,)|
Show InChI InChI=1S/C23H23Cl2N3O3/c1-12(30)16-10-26-20-7-6-19(14-8-17(24)23(31)18(25)9-14)28-22(20)21(16)27-15-4-2-13(11-29)3-5-15/h6-10,13,15,29,31H,2-5,11H2,1H3,(H,26,27)/t13-,15-
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n/an/a 3.10n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166121
PNG
(US9067937, 65)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C26H24ClFN6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166152
PNG
(US9067937, 96)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C26H24ClFN6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)/t16-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166087
PNG
(US9067937, 31)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(CCN(C)C)cc3)c2n1
Show InChI InChI=1S/C27H27ClN4O3/c1-16(33)20-15-29-23-10-9-22(18-13-21(28)27(34)24(14-18)35-4)31-26(23)25(20)30-19-7-5-17(6-8-19)11-12-32(2)3/h5-10,13-15,34H,11-12H2,1-4H3,(H,29,30)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166128
PNG
(US9067937, 72)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(F)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C26H24ClFN6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)/t16-/m0/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166116
PNG
(US9067937, 60)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C27H24Cl2N4O2/c1-16(34)20-14-30-24-9-8-23(18-12-21(28)27(35)22(29)13-18)32-26(24)25(20)31-19-6-4-17(5-7-19)15-33-10-2-3-11-33/h4-9,12-14,35H,2-3,10-11,15H2,1H3,(H,30,31)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166143
PNG
(US9067937, 87)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(nc1)C#N)C(C)=O |r,wU:4.3,wD:7.10,(-3.33,5,;-2,4.23,;-.67,5,;-2,2.69,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,-.38,;-.67,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;4.67,-4.23,;3.33,-5,;2,-4.23,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-7.34,1.15,;6,-1.93,;7.34,-2.69,;6,-.38,)|
Show InChI InChI=1S/C25H28N6O/c1-16(32)21-14-28-23-11-10-22(18-6-9-20(12-26)27-13-18)30-25(23)24(21)29-19-7-4-17(5-8-19)15-31(2)3/h6,9-11,13-14,17,19H,4-5,7-8,15H2,1-3H3,(H,28,29)/t17-,19-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166144
PNG
(US9067937, 88)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(O)cc1)C(C)=O |r,wU:4.3,wD:7.10,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C25H30N4O2/c1-16(30)21-14-26-23-13-12-22(18-6-10-20(31)11-7-18)28-25(23)24(21)27-19-8-4-17(5-9-19)15-29(2)3/h6-7,10-14,17,19,31H,4-5,8-9,15H2,1-3H3,(H,26,27)/t17-,19-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166078
PNG
(US9067937, 21)
Show SMILES CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C25H23Cl2N5O3/c1-14(33)17-13-28-21-6-5-20(15-10-18(26)25(34)19(27)11-15)31-24(21)23(17)30-16-4-7-22(29-12-16)35-9-8-32(2)3/h4-7,10-13,34H,8-9H2,1-3H3,(H,28,30)
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n/an/a 4.60n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166115
PNG
(US9067937, 59)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(C)c(O)c(C)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.38,5.78,;-1.29,4.69,;.2,5.09,;-1.69,3.2,;-.6,2.11,;-1,.62,;.09,-.47,;1.58,-.07,;1.98,1.42,;.89,2.51,;2.67,-1.16,;2.67,-2.7,;4,-3.47,;4,-5.01,;2.67,-5.78,;1.33,-5.01,;,-5.78,;-1.33,-5.01,;-1.33,-3.47,;,-2.7,;1.33,-3.47,;-2.67,-2.7,;-2.67,-1.16,;-4,-.39,;-4,1.15,;-5.33,-1.16,;-6.67,-.39,;-5.33,-2.7,;-6.67,-3.47,;-4,-3.47,;5.33,-2.7,;6.67,-3.47,;5.33,-1.16,)|
Show InChI InChI=1S/C27H34N4O2/c1-16-12-20(13-17(2)27(16)33)23-10-11-24-26(30-23)25(22(14-28-24)18(3)32)29-21-8-6-19(7-9-21)15-31(4)5/h10-14,19,21,33H,6-9,15H2,1-5H3,(H,28,29)/t19-,21-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166075
PNG
(US9067937, 18)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(Nc3ccc(CN(C)C)cc3)c2n1)S(C)(=O)=O
Show InChI InChI=1S/C25H25ClN4O4S/c1-30(2)14-15-5-7-17(8-6-15)28-24-22(35(4,32)33)13-27-20-10-9-19(29-23(20)24)16-11-18(26)25(31)21(12-16)34-3/h5-13,31H,14H2,1-4H3,(H,27,28)
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n/an/a 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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166081
PNG
(US9067937, 24)
Show SMILES CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C24H23Cl2N5O4S/c1-31(2)8-9-35-21-7-4-15(12-28-21)29-23-20(36(3,33)34)13-27-19-6-5-18(30-22(19)23)14-10-16(25)24(32)17(26)11-14/h4-7,10-13,32H,8-9H2,1-3H3,(H,27,29)
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n/an/a 5.30n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166101
PNG
(US9067937, 45)
Show SMILES CN1CCC(CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O
Show InChI InChI=1S/C22H22Cl2N4O2/c1-12(29)15-11-25-19-4-3-18(13-9-16(23)22(30)17(24)10-13)27-21(19)20(15)26-14-5-7-28(2)8-6-14/h3-4,9-11,14,30H,5-8H2,1-2H3,(H,25,26)
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n/an/a 5.80n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166086
PNG
(US9067937, 30)
Show SMILES CN(C)CCc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cc1
Show InChI InChI=1S/C26H24ClFN4O2/c1-15(33)19-14-29-23-9-8-22(17-12-20(27)26(34)21(28)13-17)31-25(23)24(19)30-18-6-4-16(5-7-18)10-11-32(2)3/h4-9,12-14,34H,10-11H2,1-3H3,(H,29,30)
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n/an/a 5.90n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166102
PNG
(US9067937, 46)
Show SMILES CN1CCC(CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O
Show InChI InChI=1S/C22H22ClFN4O2/c1-12(29)15-11-25-19-4-3-18(13-9-16(23)22(30)17(24)10-13)27-21(19)20(15)26-14-5-7-28(2)8-6-14/h3-4,9-11,14,30H,5-8H2,1-2H3,(H,25,26)
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n/an/a 6.10n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166090
PNG
(US9067937, 34)
Show SMILES CN1CCN(Cc2ccc(Nc3c(cnc4ccc(nc34)-c3cc(Cl)c(O)c(Cl)c3)C(C)=O)cc2)CC1
Show InChI InChI=1S/C28H27Cl2N5O2/c1-17(36)21-15-31-25-8-7-24(19-13-22(29)28(37)23(30)14-19)33-27(25)26(21)32-20-5-3-18(4-6-20)16-35-11-9-34(2)10-12-35/h3-8,13-15,37H,9-12,16H2,1-2H3,(H,31,32)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166167
PNG
(US9067937, 215)
Show SMILES CC(C)C(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C28H28Cl2N6O2/c1-15(2)27(37)19-13-32-23-7-6-22(16-10-20(29)28(38)21(30)11-16)35-26(23)25(19)34-18-5-8-24(33-12-18)36-9-3-4-17(31)14-36/h5-8,10-13,15,17,38H,3-4,9,14,31H2,1-2H3,(H,32,34)/t17-/m1/s1
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166129
PNG
(US9067937, 73)
Show SMILES CC(N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,wD:6.5,(,3.7,;-1.33,4.47,;-1.33,6.01,;-2.67,3.7,;-4,4.47,;-2.67,2.16,;-1.33,1.39,;-1.33,-.15,;,-.92,;1.33,-.15,;1.33,1.39,;,2.16,;2.67,-.92,;2.67,-2.93,;4,-3.7,;4,-5.24,;2.67,-6.01,;1.33,-5.24,;,-6.01,;-1.33,-5.24,;-1.33,-3.7,;,-2.93,;1.33,-3.7,;-2.67,-2.93,;-2.67,-1.39,;-4,-.62,;-4,.92,;-5.33,-1.39,;-6.67,-.62,;-5.33,-2.93,;-6.67,-3.7,;-4,-3.7,;5.33,-2.93,;6.67,-3.7,;5.33,-1.39,)|
Show InChI InChI=1S/C25H27Cl2N5O3/c1-12(28)25(35)31-16-5-3-15(4-6-16)30-22-17(13(2)33)11-29-21-8-7-20(32-23(21)22)14-9-18(26)24(34)19(27)10-14/h7-12,15-16,34H,3-6,28H2,1-2H3,(H,29,30)(H,31,35)/t12?,15-,16-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166089
PNG
(US9067937, 33)
Show SMILES CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C25H24Cl2N6O2/c1-14(34)18-12-28-22-4-3-21(15-9-19(26)25(35)20(27)10-15)31-24(22)23(18)30-16-11-29-33(13-16)17-5-7-32(2)8-6-17/h3-4,9-13,17,35H,5-8H2,1-2H3,(H,28,30)
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n/an/a 7.80n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166074
PNG
(US9067937, 17)
Show SMILES CN(C)Cc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H22ClFN4O3S/c1-30(2)13-14-4-6-16(7-5-14)28-23-21(34(3,32)33)12-27-20-9-8-19(29-22(20)23)15-10-17(25)24(31)18(26)11-15/h4-12,31H,13H2,1-3H3,(H,27,28)
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n/an/a 8.10n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166107
PNG
(US9067937, 51)
Show SMILES CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C27H26Cl2N6O2/c1-15(36)19-13-30-23-6-5-22(16-10-20(28)27(37)21(29)11-16)33-26(23)25(19)32-17-4-7-24(31-12-17)35-9-8-18(14-35)34(2)3/h4-7,10-13,18,37H,8-9,14H2,1-3H3,(H,30,32)
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n/an/a 8.20n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166080
PNG
(US9067937, 23)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(OCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C26H26ClN5O4/c1-15(33)18-14-28-21-7-6-20(16-11-19(27)26(34)22(12-16)35-4)31-25(21)24(18)30-17-5-8-23(29-13-17)36-10-9-32(2)3/h5-8,11-14,34H,9-10H2,1-4H3,(H,28,30)
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n/an/a 8.90n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166083
PNG
(US9067937, 26)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(Nc3ccc(OCCN(C)C)nc3)c2n1)S(C)(=O)=O
Show InChI InChI=1S/C25H26ClN5O5S/c1-31(2)9-10-36-22-8-5-16(13-28-22)29-24-21(37(4,33)34)14-27-19-7-6-18(30-23(19)24)15-11-17(26)25(32)20(12-15)35-3/h5-8,11-14,32H,9-10H2,1-4H3,(H,27,29)
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166103
PNG
(US9067937, 47)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;-2.67,6.16,;-4,5.39,;-4,3.85,;-1.33,-.77,;,-1.54,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,)|
Show InChI InChI=1S/C27H30Cl2N4O3/c1-16(34)20-14-30-24-7-6-23(18-12-21(28)27(35)22(29)13-18)32-26(24)25(20)31-19-4-2-17(3-5-19)15-33-8-10-36-11-9-33/h6-7,12-14,17,19,35H,2-5,8-11,15H2,1H3,(H,30,31)/t17-,19-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166093
PNG
(US9067937, 37)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N1CCC(CCN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C27H30ClFN4O2/c1-17(34)20-16-30-24-5-4-23(19-14-21(28)27(35)22(29)15-19)31-25(24)26(20)33-12-7-18(8-13-33)6-11-32-9-2-3-10-32/h4-5,14-16,18,35H,2-3,6-13H2,1H3
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166094
PNG
(US9067937, 38)
Show SMILES CN(C)CCNc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C25H24Cl2N6O2/c1-14(34)17-13-29-21-6-5-20(15-10-18(26)25(35)19(27)11-15)32-24(21)23(17)31-16-4-7-22(30-12-16)28-8-9-33(2)3/h4-7,10-13,35H,8-9H2,1-3H3,(H,28,30)(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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166142
PNG
(US9067937, 86)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc(O)nc1)C(C)=O |r,wU:4.3,wD:7.10,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C24H29N5O2/c1-15(30)19-13-25-21-10-9-20(17-6-11-22(31)26-12-17)28-24(21)23(19)27-18-7-4-16(5-8-18)14-29(2)3/h6,9-13,16,18H,4-5,7-8,14H2,1-3H3,(H,25,27)(H,26,31)/t16-,18-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166148
PNG
(US9067937, 92)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](O)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-5.33,.13,;-6.67,.9,;-4,.9,;-4,2.44,;-2.67,.13,)|
Show InChI InChI=1S/C22H21Cl2N3O3/c1-11(28)15-10-25-19-7-6-18(12-8-16(23)22(30)17(24)9-12)27-21(19)20(15)26-13-2-4-14(29)5-3-13/h6-10,13-14,29-30H,2-5H2,1H3,(H,25,26)/t13-,14-
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n/an/a 12n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166110
PNG
(US9067937, 54)
Show SMILES CNC1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C26H24ClFN6O2/c1-14(35)18-12-30-22-5-4-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-16-3-6-23(31-11-16)34-8-7-17(13-34)29-2/h3-6,9-12,17,29,36H,7-8,13H2,1-2H3,(H,30,32)
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n/an/a 12n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166138
PNG
(US9067937, 82)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cnc2[nH]ccc2c1)C(C)=O |r,wU:4.3,wD:7.10,(-4.1,5,;-2.76,4.23,;-1.43,5,;-2.76,2.69,;-1.43,1.93,;-.09,2.69,;1.24,1.93,;1.24,.38,;-.09,-.38,;-1.43,.38,;2.57,-.38,;2.57,-1.93,;3.91,-2.69,;3.91,-4.23,;2.57,-5,;1.24,-4.23,;-.09,-5,;-1.43,-4.23,;-1.43,-2.69,;-.09,-1.93,;1.24,-2.69,;-2.76,-1.93,;-4.1,-2.69,;-5.43,-1.93,;-5.43,-.38,;-6.57,.65,;-5.95,2.05,;-4.42,1.89,;-4.1,.38,;-2.76,-.38,;5.24,-1.93,;6.57,-2.69,;5.24,-.38,)|
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166147
PNG
(US9067937, 91)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](O)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-2.18,;5.33,-1.41,;5.33,.13,;4,-2.18,;4,-3.72,;2.67,-4.49,;1.33,-3.72,;,-4.49,;-1.33,-3.72,;-1.33,-2.18,;,-1.41,;1.33,-2.18,;2.67,-1.41,;2.67,.13,;1.58,1.22,;.09,.82,;-1,1.91,;-.6,3.4,;-1.69,4.49,;.89,3.8,;1.98,2.71,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-5.33,.13,;-6.67,.9,;-4,.9,;-4,2.44,;-2.67,.13,)|
Show InChI InChI=1S/C22H21ClFN3O3/c1-11(28)15-10-25-19-7-6-18(12-8-16(23)22(30)17(24)9-12)27-21(19)20(15)26-13-2-4-14(29)5-3-13/h6-10,13-14,29-30H,2-5H2,1H3,(H,25,26)/t13-,14-
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n/an/a 15n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166079
PNG
(US9067937, 22)
Show SMILES CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C25H23ClFN5O3/c1-14(33)17-13-28-21-6-5-20(15-10-18(26)25(34)19(27)11-15)31-24(21)23(17)30-16-4-7-22(29-12-16)35-9-8-32(2)3/h4-7,10-13,34H,8-9H2,1-3H3,(H,28,30)
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n/an/a 15n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166112
PNG
(US9067937, 56)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccncc1)C(C)=O |r,wU:4.3,wD:7.10,(-2,5,;-3.33,4.23,;-4.67,5,;-3.33,2.69,;-2,1.93,;-.67,2.69,;.67,1.93,;.67,.38,;-.67,-.38,;-2,.38,;2,-.38,;2,-1.93,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-4.67,.38,;-6,-.38,;-6,-1.93,;-4.67,-2.69,;4.67,-1.93,;6,-2.69,;4.67,-.38,)|
Show InChI InChI=1S/C24H29N5O/c1-16(30)20-14-26-22-9-8-21(18-10-12-25-13-11-18)28-24(22)23(20)27-19-6-4-17(5-7-19)15-29(2)3/h8-14,17,19H,4-7,15H2,1-3H3,(H,26,27)/t17-,19-
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166111
PNG
(US9067937, 55)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1ccc2[nH]cnc2c1)C(C)=O |r,wU:4.3,wD:7.10,(-.82,5,;-2.15,4.23,;-3.48,5,;-2.15,2.69,;-.82,1.93,;.52,2.69,;1.85,1.93,;1.85,.38,;.52,-.38,;-.82,.38,;3.19,-.38,;3.19,-1.93,;4.52,-2.69,;4.52,-4.23,;3.19,-5,;1.85,-4.23,;.52,-5,;-.82,-4.23,;-.82,-2.69,;.52,-1.93,;1.85,-2.69,;-2.15,-1.93,;-2.15,-.38,;-3.48,.38,;-4.82,-.38,;-6.28,.09,;-7.19,-1.15,;-6.28,-2.4,;-4.82,-1.93,;-3.48,-2.69,;5.85,-1.93,;7.19,-2.69,;5.85,-.38,)|
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166098
PNG
(US9067937, 42)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cn[nH]c1)C(C)=O |r,wU:4.3,wD:7.10,(-4.82,5,;-3.48,4.23,;-2.15,5,;-3.48,2.69,;-2.15,1.93,;-.82,2.69,;.52,1.93,;.52,.38,;-.82,-.38,;-2.15,.38,;1.85,-.38,;1.85,-1.93,;3.19,-2.69,;3.19,-4.23,;1.85,-5,;.52,-4.23,;-.82,-5,;-2.15,-4.23,;-2.15,-2.69,;-.82,-1.93,;.52,-2.69,;-3.48,-1.93,;-4.95,-2.4,;-5.85,-1.15,;-4.95,.09,;-3.48,-.38,;4.52,-1.93,;5.85,-2.69,;4.52,-.38,)|
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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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166082
PNG
(US9067937, 25)
Show SMILES CN(C)CCOc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C24H23ClFN5O4S/c1-31(2)8-9-35-21-7-4-15(12-28-21)29-23-20(36(3,33)34)13-27-19-6-5-18(30-22(19)23)14-10-16(25)24(32)17(26)11-14/h4-7,10-13,32H,8-9H2,1-3H3,(H,27,29)
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n/an/a 19n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166108
PNG
(US9067937, 52)
Show SMILES CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C27H26ClFN6O2/c1-15(36)19-13-30-23-6-5-22(16-10-20(28)27(37)21(29)11-16)33-26(23)25(19)32-17-4-7-24(31-12-17)35-9-8-18(14-35)34(2)3/h4-7,10-13,18,37H,8-9,14H2,1-3H3,(H,30,32)
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n/an/a 27n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166095
PNG
(US9067937, 39)
Show SMILES CN(C)CCNc1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C25H24ClFN6O2/c1-14(34)17-13-29-21-6-5-20(15-10-18(26)25(35)19(27)11-15)32-24(21)23(17)31-16-4-7-22(30-12-16)28-8-9-33(2)3/h4-7,10-13,35H,8-9H2,1-3H3,(H,28,30)(H,29,31)
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n/an/a 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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166140
PNG
(US9067937, 84)
Show SMILES COc1ccc(cc1)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1 |r,wU:23.24,wD:20.20,(-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.38,;2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;-.67,.38,;.67,-.38,;2,-2.69,;.67,-1.93,)|
Show InChI InChI=1S/C26H32N4O2/c1-17(31)22-15-27-24-14-13-23(19-7-11-21(32-4)12-8-19)29-26(24)25(22)28-20-9-5-18(6-10-20)16-30(2)3/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,28)/t18-,20-
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n/an/a 31n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166076
PNG
(US9067937, 19)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C28H26Cl2N4O2/c1-17(35)21-16-31-25-8-7-24(19-14-22(29)28(36)23(30)15-19)33-27(25)26(21)32-20-6-4-5-18(13-20)9-12-34-10-2-3-11-34/h4-8,13-16,36H,2-3,9-12H2,1H3,(H,31,32)
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n/an/a 32n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166091
PNG
(US9067937, 35)
Show SMILES CN1CCN(Cc2ccc(Nc3c(cnc4ccc(nc34)-c3cc(F)c(O)c(Cl)c3)C(C)=O)cc2)CC1
Show InChI InChI=1S/C28H27ClFN5O2/c1-17(36)21-15-31-25-8-7-24(19-13-22(29)28(37)23(30)14-19)33-27(25)26(21)32-20-5-3-18(4-6-20)16-35-11-9-34(2)10-12-35/h3-8,13-15,37H,9-12,16H2,1-2H3,(H,31,32)
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n/an/a 37n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166141
PNG
(US9067937, 85)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1 |r,wU:25.26,wD:22.22,(-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,;-3.33,1.93,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;6,-.38,;3.33,-1.93,;3.33,-.38,;2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;-.67,.38,;.67,-.38,;2,-2.69,;.67,-1.93,)|
Show InChI InChI=1S/C26H30Cl2N4O2/c1-15(33)19-13-29-23-10-9-22(17-11-20(27)26(34-4)21(28)12-17)31-25(23)24(19)30-18-7-5-16(6-8-18)14-32(2)3/h9-13,16,18H,5-8,14H2,1-4H3,(H,29,30)/t16-,18-
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n/an/a 120n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166077
PNG
(US9067937, 20)
Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1cccc(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C28H26ClFN4O2/c1-17(35)21-16-31-25-8-7-24(19-14-22(29)28(36)23(30)15-19)33-27(25)26(21)32-20-6-4-5-18(13-20)9-12-34-10-2-3-11-34/h4-8,13-16,36H,2-3,9-12H2,1H3,(H,31,32)
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n/an/a 140n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166058
PNG
(US9067937, 1)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(Cl)nc12)C(C)=O |r,wU:4.3,wD:7.10,(-5.33,5,;-4,4.23,;-2.67,5,;-4,2.69,;-2.67,1.93,;-1.33,2.69,;,1.93,;,.38,;-1.33,-.38,;-2.67,.38,;1.33,-.38,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;1.33,-5,;,-4.23,;-1.33,-5,;-2.67,-4.23,;-2.67,-2.69,;-4,-1.93,;-1.33,-1.93,;,-2.69,;4,-1.93,;5.33,-2.69,;4,-.38,)|
Show InChI InChI=1S/C19H25ClN4O/c1-12(25)15-10-21-16-8-9-17(20)23-19(16)18(15)22-14-6-4-13(5-7-14)11-24(2)3/h8-10,13-14H,4-7,11H2,1-3H3,(H,21,22)/t13-,14-
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n/an/a 310n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166133
PNG
(US9067937, 77)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1)N1CCC(O)C1 |r,wU:14.15,wD:17.19,(5.85,-4.31,;4.52,-3.54,;4.52,-2,;3.19,-4.31,;3.19,-5.85,;1.85,-6.62,;.52,-5.85,;-.82,-6.62,;-2.15,-5.85,;-2.15,-4.31,;-.82,-3.54,;.52,-4.31,;1.85,-3.54,;1.85,-2,;.76,-.92,;-.72,-1.31,;-1.81,-.23,;-1.42,1.26,;-2.5,2.35,;-2.11,3.84,;-3.01,5.08,;-2.11,6.33,;-.64,5.85,;.69,6.62,;-.64,4.31,;.07,1.66,;1.16,.57,;-3.48,-3.54,;-4.95,-4.02,;-5.85,-2.77,;-4.95,-1.53,;-5.72,-.2,;-3.48,-2,)|
Show InChI InChI=1S/C25H35N5O3/c1-16(31)21-12-26-22-6-7-23(30-11-9-20(33)15-30)28-25(22)24(21)27-18-4-2-17(3-5-18)13-29-10-8-19(32)14-29/h6-7,12,17-20,32-33H,2-5,8-11,13-15H2,1H3,(H,26,27)/t17-,18-,19?,20?
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n/an/a 740n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166114
PNG
(US9067937, 58)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1c(C)n[nH]c1C)C(C)=O |r,wU:4.3,wD:7.10,(-3.54,5.64,;-2.77,4.31,;-3.54,2.98,;-1.23,4.31,;-.46,2.98,;1.08,2.98,;1.85,1.64,;1.08,.31,;-.46,.31,;-1.23,1.64,;1.85,-1.02,;1.85,-2.56,;3.19,-3.33,;3.19,-4.87,;1.85,-5.64,;.52,-4.87,;-.82,-5.64,;-2.15,-4.87,;-2.15,-3.33,;-.82,-2.56,;.52,-3.33,;-3.48,-2.56,;-4.95,-3.04,;-5.72,-4.37,;-5.85,-1.79,;-4.95,-.55,;-3.48,-1.02,;-2.15,-.25,;4.52,-2.56,;5.85,-3.33,;4.52,-1.02,)|
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n/an/a 1.00E+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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM166134
PNG
(US9067937, 78)
Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)N1CCCC1 |r,wU:14.15,wD:17.19,(5.85,-4.17,;4.52,-3.4,;4.52,-1.86,;3.19,-4.17,;3.19,-5.71,;1.85,-6.48,;.52,-5.71,;-.82,-6.48,;-2.15,-5.71,;-2.15,-4.17,;-.82,-3.4,;.52,-4.17,;1.85,-3.4,;1.85,-1.86,;.76,-.77,;-.72,-1.17,;-1.81,-.08,;-1.42,1.41,;-2.5,2.5,;-2.11,3.99,;-.64,4.46,;-.64,6,;-2.11,6.48,;-3.01,5.23,;.07,1.81,;1.16,.72,;-3.48,-3.4,;-3.48,-1.86,;-4.95,-1.38,;-5.85,-2.63,;-4.95,-3.87,)|
Show InChI InChI=1S/C25H35N5O/c1-18(31)21-16-26-22-10-11-23(30-14-4-5-15-30)28-25(22)24(21)27-20-8-6-19(7-9-20)17-29-12-2-3-13-29/h10-11,16,19-20H,2-9,12-15,17H2,1H3,(H,26,27)/t19-,20-
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n/an/a 2.00E+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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%