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Patent code US9120749

Compile Data Set for Download or QSAR

Found 650 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM60578
PNG
(US9120749, 864)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.51,5.78,;-1.42,4.7,;.06,5.09,;-1.82,3.21,;-.73,2.12,;-1.13,.63,;-.04,-.46,;1.44,-.06,;1.84,1.43,;.75,2.52,;2.53,-1.15,;2.53,-2.66,;3.87,-3.43,;3.87,-4.97,;2.53,-5.74,;1.2,-4.97,;-.13,-5.74,;-1.47,-4.97,;-1.47,-3.43,;-.13,-2.66,;1.2,-3.43,;-2.8,-2.66,;-2.8,-1.12,;-4.13,-.35,;-4.13,.99,;-5.47,-1.12,;-6.8,-.35,;-5.47,-2.66,;-6.8,-3.43,;-4.13,-3.43,;5.2,-2.66,;6.53,-3.43,;5.2,-1.12,)|
Show InChI InChI=1S/C26H29Cl2N3O2/c1-15(32)21-13-29-24-9-6-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-7-4-16(5-8-19)14-31(2)3/h6,9-13,16,19,33H,4-5,7-8,14H2,1-3H3,(H,29,30)/t16-,19-
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177172
PNG
(US9120749, 538)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(OC)c1
Show InChI InChI=1S/C29H30ClN3O3/c1-5-6-26(34)23-16-31-25-12-9-19(20-14-24(30)29(35)27(15-20)36-4)13-22(25)28(23)32-21-10-7-18(8-11-21)17-33(2)3/h7-16,35H,5-6,17H2,1-4H3,(H,31,32)
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n/an/a 20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177173
PNG
(US9120749, 539)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cnc(nc1)C#N
Show InChI InChI=1S/C27H26N6O/c1-4-5-25(34)23-16-29-24-11-8-19(20-14-30-26(13-28)31-15-20)12-22(24)27(23)32-21-9-6-18(7-10-21)17-33(2)3/h6-12,14-16H,4-5,17H2,1-3H3,(H,29,32)
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n/an/a 3.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177180
PNG
(US9120749, 546)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H22ClN3O4/c1-35-23-12-17(11-21(28)26(23)33)16-6-9-22-19(10-16)24(20(13-30-22)25(32)14-2-3-14)31-18-7-4-15(5-8-18)27(29)34/h4-14,33H,2-3H2,1H3,(H2,29,34)(H,30,31)
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n/an/a 40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177190
PNG
(US9120749, 556)
Show SMILES NC1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C29H27Cl2N5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)
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n/an/a 4.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177193
PNG
(US9120749, 559)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1cc2c(Nc3ccc(nc3)N3CCNCC3)c(cnc2cc1F)C(=O)C1CC1
Show InChI InChI=1S/C28H24Cl2FN5O2/c29-21-9-16(10-22(30)28(21)38)18-11-19-24(12-23(18)31)33-14-20(27(37)15-1-2-15)26(19)35-17-3-4-25(34-13-17)36-7-5-32-6-8-36/h3-4,9-15,32,38H,1-2,5-8H2,(H,33,35)
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n/an/a 10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177203
PNG
(US9120749, 569)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CC[C@@H](F)C4)CC3)c2c1 |r,wU:24.25,wD:27.29,32.34,(-8.11,-3.39,;-6.77,-4.16,;-5.44,-3.39,;-4.1,-4.16,;-2.77,-3.39,;-2.77,-1.85,;-4.1,-1.08,;-4.1,.46,;-5.44,-1.85,;-6.77,-1.08,;-1.44,-4.16,;-1.44,-5.7,;-.1,-6.47,;1.23,-5.7,;2.56,-6.47,;3.9,-5.7,;3.9,-4.16,;5.23,-3.39,;5.23,-1.85,;6.57,-4.16,;7.34,-5.5,;8.11,-4.16,;2.56,-3.39,;2.56,-1.85,;1.23,-1.08,;-.1,-1.85,;-1.44,-1.08,;-1.44,.46,;-2.77,1.23,;-2.77,2.77,;-1.52,3.67,;-2,5.14,;-3.54,5.14,;-4.31,6.47,;-4.02,3.67,;-.1,1.23,;1.23,.46,;1.23,-4.16,;-.1,-3.39,)|
Show InChI InChI=1S/C31H35ClFN3O3/c1-39-28-14-21(13-26(32)31(28)38)20-6-9-27-24(12-20)29(25(15-34-27)30(37)19-4-5-19)35-23-7-2-18(3-8-23)16-36-11-10-22(33)17-36/h6,9,12-15,18-19,22-23,38H,2-5,7-8,10-11,16-17H2,1H3,(H,34,35)/t18-,22-,23-/m1/s1
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n/an/a 11n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177213
PNG
(US9120749, 579)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3C[C@@H]4CC[C@H](C3)N4)c2c1 |r|
Show InChI InChI=1S/C27H28ClN3O3/c1-34-24-10-16(9-22(28)27(24)33)15-4-7-23-20(8-15)25(21(13-29-23)26(32)14-2-3-14)31-19-11-17-5-6-18(12-19)30-17/h4,7-10,13-14,17-19,30,33H,2-3,5-6,11-12H2,1H3,(H,29,31)/t17-,18+,19?
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n/an/a 4.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177241
PNG
(US9120749, 607)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(OC)c1 |r,wU:19.21,wD:16.17,(8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,;4.67,-1.02,;3.33,-3.33,;3.33,-4.87,;2,-5.64,;.67,-4.87,;-.67,-5.64,;-2,-4.87,;-2,-3.33,;-.67,-2.56,;.67,-3.33,;2,-2.56,;2,-1.02,;.91,.07,;1.31,1.55,;.22,2.64,;-1.27,2.24,;-2.36,3.33,;-2.36,4.87,;-1.02,5.64,;-3.69,5.64,;-1.66,.76,;-.58,-.33,;-3.33,-2.56,;-3.33,-1.02,;-4.67,-.25,;-4.67,1.29,;-6,-1.02,;-7.34,-.25,;-6,-2.56,;-7.34,-3.33,;-8.67,-2.56,;-4.67,-3.33,)|
Show InChI InChI=1S/C29H36ClN3O3/c1-5-6-26(34)23-16-31-25-12-9-19(20-14-24(30)29(35)27(15-20)36-4)13-22(25)28(23)32-21-10-7-18(8-11-21)17-33(2)3/h9,12-16,18,21,35H,5-8,10-11,17H2,1-4H3,(H,31,32)/t18-,21-
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n/an/a 5.10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177246
PNG
(US9120749, 612)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(CCN(C)C)cc3)c2c1
Show InChI InChI=1S/C30H30ClN3O3/c1-34(2)13-12-18-4-9-22(10-5-18)33-28-23-14-20(21-15-25(31)30(36)27(16-21)37-3)8-11-26(23)32-17-24(28)29(35)19-6-7-19/h4-5,8-11,14-17,19,36H,6-7,12-13H2,1-3H3,(H,32,33)
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n/an/a 5.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177249
PNG
(US9120749, 615)
Show SMILES CN(C)CCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C29H27ClFN3O2/c1-34(2)12-11-17-3-8-21(9-4-17)33-27-22-13-19(20-14-24(30)29(36)25(31)15-20)7-10-26(22)32-16-23(27)28(35)18-5-6-18/h3-4,7-10,13-16,18,36H,5-6,11-12H2,1-2H3,(H,32,33)
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177250
PNG
(US9120749, 616)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3cnc(nc3)N3CCNCC3)c2c1
Show InChI InChI=1S/C26H25ClN6O3/c1-15(34)20-14-29-22-4-3-16(17-10-21(27)25(35)23(11-17)36-2)9-19(22)24(20)32-18-12-30-26(31-13-18)33-7-5-28-6-8-33/h3-4,9-14,28,35H,5-8H2,1-2H3,(H,29,32)
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n/an/a 4.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177251
PNG
(US9120749, 617)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(Cl)c(O)c(OC)c1
Show InChI InChI=1S/C29H30ClN5O3/c1-3-4-25(36)22-17-32-24-7-5-18(19-14-23(30)29(37)26(15-19)38-2)13-21(24)28(22)34-20-6-8-27(33-16-20)35-11-9-31-10-12-35/h5-8,13-17,31,37H,3-4,9-12H2,1-2H3,(H,32,34)
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n/an/a 4.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177253
PNG
(US9120749, 619)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)CC1 |r,wU:9.12,wD:6.5,(-3.62,6.93,;-3.62,5.39,;-2.29,4.62,;-2.29,3.08,;-3.62,2.31,;-3.62,.77,;-2.29,,;-2.29,-1.54,;-.95,-2.31,;.38,-1.54,;.38,,;-.95,.77,;1.72,-2.31,;1.72,-3.85,;3.05,-4.62,;3.05,-6.16,;1.72,-6.93,;.38,-6.16,;-.95,-6.93,;-2.29,-6.16,;-2.29,-4.62,;-.95,-3.85,;.38,-4.62,;-3.62,-3.85,;-4.95,-4.62,;-6.29,-3.85,;-7.62,-4.62,;-6.29,-2.31,;-7.62,-1.54,;-4.95,-1.54,;-4.95,,;-3.62,-2.31,;4.38,-3.85,;4.38,-2.31,;5.72,-4.62,;6.49,-5.95,;7.26,-4.62,;-4.95,3.08,;-4.95,4.62,)|
Show InChI InChI=1S/C31H36Cl2N4O2/c1-36-10-12-37(13-11-36)18-19-2-7-23(8-3-19)35-29-24-14-21(22-15-26(32)31(39)27(33)16-22)6-9-28(24)34-17-25(29)30(38)20-4-5-20/h6,9,14-17,19-20,23,39H,2-5,7-8,10-13,18H2,1H3,(H,34,35)/t19-,23-
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n/an/a 2.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177255
PNG
(US9120749, 621)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@@H]3C[C@@H]4CC[C@H](C3)N4)c2c1 |r|
Show InChI InChI=1S/C26H25ClFN3O2/c27-21-8-15(9-22(28)26(21)33)14-3-6-23-19(7-14)24(20(12-29-23)25(32)13-1-2-13)31-18-10-16-4-5-17(11-18)30-16/h3,6-9,12-13,16-18,30,33H,1-2,4-5,10-11H2,(H,29,31)/t16-,17+,18+
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n/an/a 10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177258
PNG
(US9120749, 624)
Show SMILES CN(C)Cc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)c1
Show InChI InChI=1S/C28H25Cl2N3O2/c1-33(2)15-16-4-3-5-20(10-16)32-26-21-11-18(19-12-23(29)28(35)24(30)13-19)8-9-25(21)31-14-22(26)27(34)17-6-7-17/h3-5,8-14,17,35H,6-7,15H2,1-2H3,(H,31,32)
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n/an/a 1.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177264
PNG
(US9120749, 630)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCC(O)C4)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-3.39,;-6.77,-4.16,;-5.44,-3.39,;-4.1,-4.16,;-2.77,-3.39,;-2.77,-1.85,;-4.1,-1.08,;-4.1,.46,;-5.44,-1.85,;-6.77,-1.08,;-1.44,-4.16,;-1.44,-5.7,;-.1,-6.47,;1.23,-5.7,;2.56,-6.47,;3.9,-5.7,;3.9,-4.16,;5.23,-3.39,;5.23,-1.85,;6.57,-4.16,;7.34,-5.5,;8.11,-4.16,;2.56,-3.39,;2.56,-1.85,;1.23,-1.08,;-.1,-1.85,;-1.44,-1.08,;-1.44,.46,;-2.77,1.23,;-2.77,2.77,;-1.52,3.67,;-2,5.14,;-3.54,5.14,;-4.31,6.47,;-4.02,3.67,;-.1,1.23,;1.23,.46,;1.23,-4.16,;-.1,-3.39,)|
Show InChI InChI=1S/C31H36ClN3O4/c1-39-28-14-21(13-26(32)31(28)38)20-6-9-27-24(12-20)29(25(15-33-27)30(37)19-4-5-19)34-22-7-2-18(3-8-22)16-35-11-10-23(36)17-35/h6,9,12-15,18-19,22-23,36,38H,2-5,7-8,10-11,16-17H2,1H3,(H,33,34)/t18-,22-,23?
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n/an/a 2.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177276
PNG
(US9120749, 642)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CC[C@@H](F)C3)c2c1 |r,wU:32.35,(-7.44,-.77,;-6.1,-1.54,;-6.1,-3.08,;-7.44,-3.85,;-4.77,-3.85,;-3.44,-3.08,;-3.44,-1.54,;-4.77,-.77,;-4.77,.77,;-2.1,-3.85,;-2.1,-5.39,;-.77,-6.16,;.56,-5.39,;1.9,-6.16,;3.23,-5.39,;3.23,-3.85,;4.56,-3.08,;4.56,-1.54,;5.9,-3.85,;6.67,-5.19,;7.44,-3.85,;1.9,-3.08,;1.9,-1.54,;.81,-.45,;1.21,1.03,;.12,2.12,;-1.37,1.72,;-1.77,.24,;-.68,-.85,;-2.46,2.81,;-3.92,2.34,;-4.83,3.58,;-3.92,4.83,;-4.69,6.16,;-2.46,4.35,;.56,-3.85,;-.77,-3.08,)|
Show InChI InChI=1S/C29H30ClF2N3O2/c30-24-12-18(13-25(32)29(24)37)17-3-8-26-22(11-17)27(23(14-33-26)28(36)16-1-2-16)34-20-4-6-21(7-5-20)35-10-9-19(31)15-35/h3,8,11-14,16,19-21,37H,1-2,4-7,9-10,15H2,(H,33,34)/t19-,20?,21?/m1/s1
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n/an/a 7.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177279
PNG
(US9120749, 645)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CC[C@@H](F)C3)c2c1 |r,wU:33.36,(-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-5.44,-1.54,;-6.77,-.77,;-1.44,-3.85,;-1.44,-5.39,;-.1,-6.16,;1.23,-5.39,;2.56,-6.16,;3.9,-5.39,;3.9,-3.85,;5.23,-3.08,;5.23,-1.54,;6.57,-3.85,;7.34,-5.19,;8.11,-3.85,;2.56,-3.08,;2.56,-1.54,;1.48,-.45,;1.87,1.03,;.78,2.12,;-.7,1.72,;-1.1,.24,;-.01,-.85,;-1.79,2.81,;-3.26,2.34,;-4.16,3.58,;-3.26,4.83,;-4.03,6.16,;-1.79,4.35,;1.23,-3.85,;-.1,-3.08,)|
Show InChI InChI=1S/C30H33ClFN3O3/c1-38-27-14-19(13-25(31)30(27)37)18-4-9-26-23(12-18)28(24(15-33-26)29(36)17-2-3-17)34-21-5-7-22(8-6-21)35-11-10-20(32)16-35/h4,9,12-15,17,20-22,37H,2-3,5-8,10-11,16H2,1H3,(H,33,34)/t20-,21?,22?/m1/s1
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n/an/a 6.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177301
PNG
(US9120749, 667)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3ccc(NC4CCNC4)nc3)c2c1
Show InChI InChI=1S/C28H25ClFN5O2/c29-22-10-17(11-23(30)28(22)37)16-3-5-24-20(9-16)26(21(14-32-24)27(36)15-1-2-15)35-18-4-6-25(33-13-18)34-19-7-8-31-12-19/h3-6,9-11,13-15,19,31,37H,1-2,7-8,12H2,(H,32,35)(H,33,34)
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n/an/a 10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177326
PNG
(US9120749, 692)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cccc(CCN(C)C)c3)c2c1
Show InChI InChI=1S/C30H30ClN3O3/c1-34(2)12-11-18-5-4-6-22(13-18)33-28-23-14-20(21-15-25(31)30(36)27(16-21)37-3)9-10-26(23)32-17-24(28)29(35)19-7-8-19/h4-6,9-10,13-17,19,36H,7-8,11-12H2,1-3H3,(H,32,33)
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n/an/a 5.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177327
PNG
(US9120749, 693)
Show SMILES CN(C)CCc1cccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)c1
Show InChI InChI=1S/C29H27ClFN3O2/c1-34(2)11-10-17-4-3-5-21(12-17)33-27-22-13-19(20-14-24(30)29(36)25(31)15-20)8-9-26(22)32-16-23(27)28(35)18-6-7-18/h3-5,8-9,12-16,18,36H,6-7,10-11H2,1-2H3,(H,32,33)
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n/an/a 8.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177338
PNG
(US9120749, 704)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(Nc3ccc(nc3)N3CCNCC3)c2c1
Show InChI InChI=1S/C27H26ClN5O3/c1-16(34)21-15-30-23-5-3-17(18-12-22(28)27(35)24(13-18)36-2)11-20(23)26(21)32-19-4-6-25(31-14-19)33-9-7-29-8-10-33/h3-6,11-15,29,35H,7-10H2,1-2H3,(H,30,32)
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n/an/a 2.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177340
PNG
(US9120749, 706)
Show SMILES N[C@H]1CC[C@@H](CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r,wU:4.7,wD:1.0,(-2.5,6.68,;-2.1,5.19,;-3.19,4.1,;-2.79,2.61,;-1.3,2.22,;-.21,3.3,;-.61,4.79,;-.9,.73,;.56,.25,;.56,-1.29,;1.9,-2.06,;1.9,-3.6,;3.23,-4.37,;3.23,-5.91,;1.9,-6.68,;.56,-5.91,;-.77,-6.68,;-2.1,-5.91,;-2.1,-4.37,;-.77,-3.6,;.56,-4.37,;-3.44,-3.6,;-3.44,-2.06,;-4.77,-1.29,;-4.77,.25,;-6.1,-2.06,;-7.44,-1.29,;-6.1,-3.6,;-7.44,-4.37,;-4.77,-4.37,;4.56,-3.6,;4.56,-2.06,;5.9,-4.37,;6.67,-5.7,;7.44,-4.37,;-.9,-1.76,;-1.81,-.52,)|
Show InChI InChI=1S/C28H27Cl2N5O2/c29-23-10-17(11-24(30)28(23)37)16-3-8-25-21(9-16)26(22(13-32-25)27(36)15-1-2-15)34-19-12-33-35(14-19)20-6-4-18(31)5-7-20/h3,8-15,18,20,37H,1-2,4-7,31H2,(H,32,34)/t18-,20-
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177348
PNG
(US9120749, 714)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(7.34,-1.92,;6,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,-2.7,;3.33,-4.24,;2,-5.01,;.67,-4.24,;-.67,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;2,-1.93,;2,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-2,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-2,5.01,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-4.67,-2.7,;-6,-1.93,;-7.34,-2.7,;-6,-.39,;-7.34,.38,;-4.67,.38,;-4.67,1.92,;-3.33,-.39,)|
Show InChI InChI=1S/C27H31ClFN3O2/c1-4-25(33)21-14-30-24-10-7-17(18-12-22(28)27(34)23(29)13-18)11-20(24)26(21)31-19-8-5-16(6-9-19)15-32(2)3/h7,10-14,16,19,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t16-,19-
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n/an/a 4n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177349
PNG
(US9120749, 715 | US9120749, 716)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:18.20,wD:15.16,(7.34,-1.92,;6,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,-2.7,;3.33,-4.24,;2,-5.01,;.67,-4.24,;-.67,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;2,-1.93,;2,-.39,;.67,.38,;.67,1.92,;-.67,2.69,;-2,1.92,;-3.33,2.69,;-3.33,4.23,;-4.67,5,;-2,5.01,;-2,.38,;-.67,-.38,;-3.33,-1.93,;-3.33,-.39,;-4.67,.38,;-4.67,1.92,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-4.67,-2.7,)|
Show InChI InChI=1S/C27H31Cl2N3O2/c1-4-25(33)21-14-30-24-10-7-17(18-12-22(28)27(34)23(29)13-18)11-20(24)26(21)31-19-8-5-16(6-9-19)15-32(2)3/h7,10-14,16,19,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t16-,19-
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n/an/a 1.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177351
PNG
(US9120749, 717)
Show SMILES CN(C)C[C@@H]1CC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
Show InChI InChI=1S/C25H27ClFN3O2/c1-14(31)20-12-28-23-7-5-16(17-10-21(26)25(32)22(27)11-17)9-19(23)24(20)29-18-6-4-15(8-18)13-30(2)3/h5,7,9-12,15,18,32H,4,6,8,13H2,1-3H3,(H,28,29)/t15-,18-/m1/s1
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n/an/a 11n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177354
PNG
(US9120749, 720)
Show SMILES CN(C)C1CCc2cc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(C)=O)ccc12
Show InChI InChI=1S/C28H25Cl2N3O2/c1-15(34)22-14-31-25-8-4-16(18-12-23(29)28(35)24(30)13-18)11-21(25)27(22)32-19-6-7-20-17(10-19)5-9-26(20)33(2)3/h4,6-8,10-14,26,35H,5,9H2,1-3H3,(H,31,32)
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n/an/a 3.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177355
PNG
(US9120749, 721)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(F)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,;,-1.92,;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,-1.92,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C26H29F2N3O2/c1-15(32)21-13-29-24-9-6-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-7-4-16(5-8-19)14-31(2)3/h6,9-13,16,19,33H,4-5,7-8,14H2,1-3H3,(H,29,30)/t16-,19-
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n/an/a 35n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177368
PNG
(US9120749, 734)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-2.74,;-6,-3.51,;-4.67,-2.74,;-3.33,-3.51,;-2,-2.74,;-2,-1.2,;-3.33,-.43,;-3.33,1.11,;-4.67,-1.2,;-6,-.43,;-.67,-3.51,;-.67,-5.05,;.67,-5.82,;2,-5.05,;3.33,-5.82,;4.67,-5.05,;4.67,-3.51,;6,-2.74,;7.34,-3.51,;6,-1.2,;3.33,-2.74,;3.33,-1.17,;2,-.4,;2,1.14,;.67,1.91,;-.67,1.14,;-2,1.91,;-2,3.45,;-.75,4.35,;-1.23,5.82,;-2.77,5.82,;-3.25,4.35,;-.67,-.4,;.67,-1.17,;2,-3.51,;.67,-2.74,)|
Show InChI InChI=1S/C29H34ClN3O3/c1-18(34)24-16-31-26-10-7-20(21-14-25(30)29(35)27(15-21)36-2)13-23(26)28(24)32-22-8-5-19(6-9-22)17-33-11-3-4-12-33/h7,10,13-16,19,22,35H,3-6,8-9,11-12,17H2,1-2H3,(H,31,32)/t19-,22-
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n/an/a 1.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177399
PNG
(US9120749, 765 | US9120749, 766)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:3.2,wD:6.9,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;.89,3.05,;1.98,1.96,;1.58,.48,;.09,.08,;-1,1.17,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-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/C25H27Cl2N3O2/c1-14(31)20-13-28-23-9-4-15(16-11-21(26)25(32)22(27)12-16)10-19(23)24(20)29-17-5-7-18(8-6-17)30(2)3/h4,9-13,17-18,32H,5-8H2,1-3H3,(H,28,29)/t17-,18-
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n/an/a 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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177415
PNG
(US9120749, 781)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:9.12,wD:6.5,(-2.79,7.05,;-2.79,5.51,;-1.46,4.74,;-1.46,3.2,;-2.79,2.43,;-2.79,.89,;-1.46,.12,;-1.46,-1.42,;-.12,-2.19,;1.21,-1.42,;1.21,.12,;-.12,.89,;2.55,-2.19,;2.55,-3.97,;3.88,-4.74,;3.88,-6.28,;2.55,-7.05,;1.21,-6.28,;-.12,-7.05,;-1.46,-6.28,;-1.46,-4.74,;-.12,-3.97,;1.21,-4.74,;-2.79,-3.97,;-2.79,-2.43,;-4.12,-1.66,;-4.12,-.12,;-5.46,-2.43,;-6.79,-1.66,;-5.46,-3.97,;-6.79,-4.74,;-4.12,-4.74,;5.21,-3.97,;6.55,-4.74,;5.21,-2.43,;-4.12,3.2,;-4.12,4.74,)|
Show InChI InChI=1S/C29H34ClFN4O2/c1-18(36)24-16-32-27-8-5-20(21-14-25(30)29(37)26(31)15-21)13-23(27)28(24)33-22-6-3-19(4-7-22)17-35-11-9-34(2)10-12-35/h5,8,13-16,19,22,37H,3-4,6-7,9-12,17H2,1-2H3,(H,32,33)/t19-,22-
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n/an/a 13n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177428
PNG
(US9120749, 794)
Show SMILES CCN(CC)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,wD:6.5,(-4,5.77,;-4,4.23,;-2.67,3.46,;-1.33,4.24,;-1.33,5.78,;-2.67,1.92,;-1.33,1.15,;-1.33,-.39,;,-1.16,;1.33,-.39,;1.33,1.15,;,1.92,;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,;,-2.69,;1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;-5.33,-2.7,;-6.67,-3.47,;-5.33,-1.16,;-6.67,-.39,;-4,-.39,;-4,1.15,;-2.67,-1.16,;5.33,-2.69,;6.67,-3.46,;5.33,-1.15,)|
Show InChI InChI=1S/C28H33ClFN3O2/c1-4-33(5-2)16-18-6-9-21(10-7-18)32-27-22-12-19(20-13-24(29)28(35)25(30)14-20)8-11-26(22)31-15-23(27)17(3)34/h8,11-15,18,21,35H,4-7,9-10,16H2,1-3H3,(H,31,32)/t18-,21-
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n/an/a 5.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177484
PNG
(US9120749, 850)
Show SMILES CN(C)CCN1CCCC(C1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O
Show InChI InChI=1S/C26H30Cl2N4O2/c1-16(33)21-14-29-24-7-6-17(18-12-22(27)26(34)23(28)13-18)11-20(24)25(21)30-19-5-4-8-32(15-19)10-9-31(2)3/h6-7,11-14,19,34H,4-5,8-10,15H2,1-3H3,(H,29,30)
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n/an/a 1.90n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177507
PNG
(US9120749, 874)
Show SMILES CN1CCCC1C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:12.16,wD:9.9,(-2.81,6.18,;-1.47,5.41,;-.01,5.89,;.9,4.64,;-.01,3.4,;-1.47,3.87,;-2.81,3.1,;-4.14,3.87,;-2.81,1.56,;-1.47,.79,;-1.47,-.75,;-.14,-1.52,;1.19,-.75,;1.19,.79,;-.14,1.56,;2.53,-1.52,;2.53,-3.06,;3.86,-3.83,;3.86,-5.37,;2.53,-6.14,;1.19,-5.37,;-.14,-6.14,;-1.47,-5.37,;-1.47,-3.83,;-.14,-3.06,;1.19,-3.83,;-2.81,-3.06,;-4.14,-3.83,;-5.48,-3.06,;-6.81,-3.83,;-5.48,-1.52,;-6.81,-.75,;-4.14,-.75,;-4.14,.6,;-2.81,-1.52,;5.19,-3.06,;6.53,-3.83,;5.19,-1.52,)|
Show InChI InChI=1S/C29H32ClFN4O3/c1-16(36)22-15-32-25-10-5-17(18-13-23(30)28(37)24(31)14-18)12-21(25)27(22)33-19-6-8-20(9-7-19)34-29(38)26-4-3-11-35(26)2/h5,10,12-15,19-20,26,37H,3-4,6-9,11H2,1-2H3,(H,32,33)(H,34,38)/t19-,20-,26?
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n/an/a 16n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177510
PNG
(US9120749, 877)
Show SMILES CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:10.13,wD:7.6,(.41,5.63,;-1.08,5.23,;-2.16,6.32,;-1.47,3.74,;-2.81,2.97,;-4.14,3.74,;-2.81,1.43,;-1.47,.66,;-1.47,-.88,;-.14,-1.65,;1.19,-.88,;1.19,.66,;-.14,1.43,;2.53,-1.65,;2.53,-3.19,;3.86,-3.96,;3.86,-5.5,;2.53,-6.27,;1.19,-5.5,;-.14,-6.27,;-1.47,-5.5,;-1.47,-3.96,;-.14,-3.19,;1.19,-3.96,;-2.81,-3.19,;-2.81,-1.65,;-4.14,-.88,;-4.14,.47,;-5.48,-1.65,;-6.81,-.88,;-5.48,-3.19,;-6.81,-3.96,;-4.14,-3.96,;5.19,-3.19,;6.53,-3.96,;5.19,-1.65,)|
Show InChI InChI=1S/C27H30Cl2N4O3/c1-15(34)21-13-30-24-9-4-16(17-11-22(28)27(36)23(29)12-17)10-20(24)26(21)32-19-7-5-18(6-8-19)31-25(35)14-33(2)3/h4,9-13,18-19,36H,5-8,14H2,1-3H3,(H,30,32)(H,31,35)/t18-,19-
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n/an/a 2.70n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177517
PNG
(US9120749, 884)
Show SMILES CN(C)CCOc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C25H24Cl2N4O4S/c1-31(2)8-9-35-23-7-5-17(13-29-23)30-24-18-10-15(16-11-19(26)25(32)20(27)12-16)4-6-21(18)28-14-22(24)36(3,33)34/h4-7,10-14,32H,8-9H2,1-3H3,(H,28,30)
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n/an/a 3.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177519
PNG
(US9120749, 886)
Show SMILES C[C@H](N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,1.1,wD:6.5,(-.25,3.49,;-1.58,4.26,;-1.18,5.75,;-2.92,3.49,;-4.25,4.26,;-2.92,1.95,;-1.58,1.18,;-1.58,-.36,;-.25,-1.13,;1.08,-.36,;1.08,1.18,;-.25,1.95,;2.42,-1.13,;2.42,-2.67,;3.75,-3.44,;3.75,-4.98,;2.42,-5.75,;1.08,-4.98,;-.25,-5.75,;-1.58,-4.98,;-1.58,-3.44,;-.25,-2.67,;1.08,-3.44,;-2.92,-2.67,;-2.92,-1.13,;-4.25,-.36,;-4.25,.99,;-5.58,-1.13,;-6.92,-.36,;-5.58,-2.67,;-6.92,-3.44,;-4.25,-3.44,;5.09,-2.67,;6.42,-3.44,;5.09,-1.13,)|
Show InChI InChI=1S/C26H28Cl2N4O3/c1-13(29)26(35)32-18-6-4-17(5-7-18)31-24-19-9-15(16-10-21(27)25(34)22(28)11-16)3-8-23(19)30-12-20(24)14(2)33/h3,8-13,17-18,34H,4-7,29H2,1-2H3,(H,30,31)(H,32,35)/t13-,17-,18-/m0/s1
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n/an/a 0.660n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177521
PNG
(US9120749, 888)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1cccc(CCN2CCCC2)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C35H33N3O2/c1-24(39)33-23-36-34-16-13-29(28-9-7-26(8-10-28)27-11-14-31(40)15-12-27)22-32(34)35(33)37-30-6-4-5-25(21-30)17-20-38-18-2-3-19-38/h4-16,21-23,40H,2-3,17-20H2,1H3,(H,36,37)
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n/an/a 3.40E+3n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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