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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))		BDBM177164
PNG
(US9120749, 530 | US9120749, 531)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1Nc1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C28H27Cl2N3O2/c1-4-5-26(34)22-15-31-25-11-8-18(19-13-23(29)28(35)24(30)14-19)12-21(25)27(22)32-20-9-6-17(7-10-20)16-33(2)3/h6-15,35H,4-5,16H2,1-3H3,(H,31,32)
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n/an/a 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))		BDBM177166
PNG
(US9120749, 532)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](N)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:16.17,wD:19.21,(8,-2.18,;6.67,-1.41,;5.33,-2.18,;4,-1.41,;4,.13,;2.67,-2.18,;2.67,-3.72,;1.33,-4.49,;,-3.72,;-1.33,-4.49,;-2.67,-3.72,;-2.67,-2.18,;-1.33,-1.41,;,-2.18,;1.33,-1.41,;1.33,.13,;.24,1.22,;-1.24,.82,;-2.33,1.91,;-1.93,3.4,;-3.02,4.49,;-.45,3.8,;.64,2.71,;-4,-1.41,;-4,.13,;-5.33,.9,;-5.33,2.44,;-6.67,.13,;-8,.9,;-6.67,-1.41,;-8,-2.18,;-5.33,-2.18,)|
Show InChI InChI=1S/C25H27ClFN3O2/c1-2-3-23(31)19-13-29-22-9-4-14(15-11-20(26)25(32)21(27)12-15)10-18(22)24(19)30-17-7-5-16(28)6-8-17/h4,9-13,16-17,32H,2-3,5-8,28H2,1H3,(H,29,30)/t16-,17-
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n/an/a 17n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177170
PNG
(US9120749, 536)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(-c3cn[nH]c3)c2c1
Show InChI InChI=1S/C23H18ClN3O3/c1-30-20-8-14(7-18(24)23(20)29)13-4-5-19-16(6-13)21(15-9-26-27-10-15)17(11-25-19)22(28)12-2-3-12/h4-12,29H,2-3H2,1H3,(H,26,27)
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n/an/a 110n/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))		BDBM177175
PNG
(US9120749, 541)
Show SMILES CN(C)Cc1ccc(Nc2c(cnc3cc(F)c(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C28H24ClF2N3O2/c1-34(2)14-15-3-7-18(8-4-15)33-26-20-11-19(17-9-22(29)28(36)24(31)10-17)23(30)12-25(20)32-13-21(26)27(35)16-5-6-16/h3-4,7-13,16,36H,5-6,14H2,1-2H3,(H,32,33)
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n/an/a 77n/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))		BDBM177197
PNG
(US9120749, 563)
Show SMILES CN(C)Cc1ccc(Nc2c(cnc3c(F)cc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C28H24ClF2N3O2/c1-34(2)14-15-3-7-19(8-4-15)33-25-20-9-17(18-10-22(29)28(36)24(31)12-18)11-23(30)26(20)32-13-21(25)27(35)16-5-6-16/h3-4,7-13,16,36H,5-6,14H2,1-2H3,(H,32,33)
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n/an/a 1.80E+3n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177205
PNG
(US9120749, 571)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CC[C@@H](F)C4)CC3)c2c1 |r,wU:23.24,wD:26.28,31.33,(-7.44,-1.08,;-6.1,-1.85,;-6.1,-3.39,;-7.44,-4.16,;-4.77,-4.16,;-3.44,-3.39,;-3.44,-1.85,;-4.77,-1.08,;-4.77,.46,;-2.1,-4.16,;-2.1,-5.7,;-.77,-6.47,;.56,-5.7,;1.9,-6.47,;3.23,-5.7,;3.23,-4.16,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;1.9,-3.39,;1.9,-1.85,;.56,-1.08,;-.77,-1.85,;-2.1,-1.08,;-2.1,.46,;-3.44,1.23,;-3.44,2.77,;-2.19,3.67,;-2.67,5.14,;-4.21,5.14,;-4.98,6.47,;-4.68,3.67,;-.77,1.23,;.56,.46,;.56,-4.16,;-.77,-3.39,)|
Show InChI InChI=1S/C30H32Cl2FN3O2/c31-25-12-20(13-26(32)30(25)38)19-5-8-27-23(11-19)28(24(14-34-27)29(37)18-3-4-18)35-22-6-1-17(2-7-22)15-36-10-9-21(33)16-36/h5,8,11-14,17-18,21-22,38H,1-4,6-7,9-10,15-16H2,(H,34,35)/t17-,21-,22-/m1/s1
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n/an/a 4.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177216
PNG
(US9120749, 582)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnc(nc3)N3CCC(N)C3)c2c1
Show InChI InChI=1S/C28H27ClN6O3/c1-38-24-10-17(9-22(29)27(24)37)16-4-5-23-20(8-16)25(21(13-31-23)26(36)15-2-3-15)34-19-11-32-28(33-12-19)35-7-6-18(30)14-35/h4-5,8-13,15,18,37H,2-3,6-7,14,30H2,1H3,(H,31,34)
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177227
PNG
(US9120749, 593)
Show SMILES CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C28H27Cl2N5O2/c1-34-8-6-20(7-9-34)35-15-19(13-32-35)33-26-21-10-17(18-11-23(29)28(37)24(30)12-18)4-5-25(21)31-14-22(26)27(36)16-2-3-16/h4-5,10-16,20,37H,2-3,6-9H2,1H3,(H,31,33)
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n/an/a 1.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177239
PNG
(US9120749, 605)
Show SMILES CCCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:19.21,wD:16.17,(8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,;4,-1.02,;2.67,-3.33,;2.67,-4.87,;1.33,-5.64,;,-4.87,;-1.33,-5.64,;-2.67,-4.87,;-2.67,-3.33,;-1.33,-2.56,;,-3.33,;1.33,-2.56,;1.33,-1.02,;.24,.07,;.64,1.55,;-.45,2.64,;-1.93,2.24,;-3.02,3.33,;-3.02,4.87,;-1.69,5.64,;-4.36,5.64,;-2.33,.76,;-1.24,-.33,;-4,-2.56,;-5.33,-3.33,;-6.67,-2.56,;-8,-3.33,;-6.67,-1.02,;-8,-.25,;-5.33,-.25,;-5.33,1.29,;-4,-1.02,)|
Show InChI InChI=1S/C28H33Cl2N3O2/c1-4-5-26(34)22-15-31-25-11-8-18(19-13-23(29)28(35)24(30)14-19)12-21(25)27(22)32-20-9-6-17(7-10-20)16-33(2)3/h8,11-15,17,20,35H,4-7,9-10,16H2,1-3H3,(H,31,32)/t17-,20-
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n/an/a 2n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		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))		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))		BDBM177268
PNG
(US9120749, 634)
Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,wD:6.5,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-.77,4.24,;.56,5.01,;-3.44,2.7,;-2.1,1.92,;-2.1,.38,;-.77,-.39,;.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,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.38,;-4.77,1.92,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
Show InChI InChI=1S/C29H33Cl2N3O3/c1-34(10-11-35)16-17-2-7-21(8-3-17)33-27-22-12-19(20-13-24(30)29(37)25(31)14-20)6-9-26(22)32-15-23(27)28(36)18-4-5-18/h6,9,12-15,17-18,21,35,37H,2-5,7-8,10-11,16H2,1H3,(H,32,33)/t17-,21-
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177291
PNG
(US9120749, 657)
Show SMILES CN(C)Cc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C27H24Cl2N4O2/c1-33(2)14-19-7-6-18(12-30-19)32-25-20-9-16(17-10-22(28)27(35)23(29)11-17)5-8-24(20)31-13-21(25)26(34)15-3-4-15/h5-13,15,35H,3-4,14H2,1-2H3,(H,31,32)
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177308
PNG
(US9120749, 674)
Show SMILES CC(C)C(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C28H27ClFN5O2/c1-16(2)27(36)21-15-32-24-5-3-17(18-12-22(29)28(37)23(30)13-18)11-20(24)26(21)34-19-4-6-25(33-14-19)35-9-7-31-8-10-35/h3-6,11-16,31,37H,7-10H2,1-2H3,(H,32,34)
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n/an/a 6.90n/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))		BDBM177309
PNG
(US9120749, 675)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CCC(F)(F)C3)c2c1 |(-7.44,-.11,;-6.1,-.88,;-6.1,-2.42,;-7.44,-3.19,;-4.77,-3.19,;-3.44,-2.42,;-3.44,-.88,;-4.77,-.11,;-4.77,1.43,;-2.1,-3.19,;-2.1,-4.73,;-.77,-5.5,;.56,-4.73,;1.9,-5.5,;3.23,-4.73,;3.23,-3.19,;4.56,-2.42,;4.56,-.88,;5.9,-3.19,;6.67,-4.52,;7.44,-3.19,;1.9,-2.42,;1.9,-.88,;.81,.21,;1.21,1.7,;.12,2.79,;-1.37,2.39,;-1.77,.9,;-.68,-.19,;-2.46,3.48,;-2.44,5.02,;-3.91,5.5,;-4.81,4.25,;-6.15,5.02,;-6.15,3.48,;-3.91,3,;.56,-3.19,;-.77,-2.42,)|
Show InChI InChI=1S/C29H29ClF3N3O2/c30-23-12-18(13-24(31)28(23)38)17-3-8-25-21(11-17)26(22(14-34-25)27(37)16-1-2-16)35-19-4-6-20(7-5-19)36-10-9-29(32,33)15-36/h3,8,11-14,16,19-20,38H,1-2,4-7,9-10,15H2,(H,34,35)
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n/an/a 830n/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))		BDBM177310
PNG
(US9120749, 676)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(CC3)N3CCC(F)(F)C3)c2c1 |(-8.11,-2.42,;-6.77,-3.19,;-5.44,-2.42,;-4.1,-3.19,;-2.77,-2.42,;-2.77,-.88,;-4.1,-.11,;-4.1,1.43,;-5.44,-.88,;-6.77,-.11,;-1.44,-3.19,;-1.44,-4.73,;-.1,-5.5,;1.23,-4.73,;2.56,-5.5,;3.9,-4.73,;3.9,-3.19,;5.23,-2.42,;5.23,-.88,;6.57,-3.19,;7.34,-4.52,;8.11,-3.19,;2.56,-2.42,;2.56,-.88,;1.48,.21,;1.87,1.7,;.78,2.79,;-.7,2.39,;-1.1,.9,;-.01,-.19,;-1.79,3.48,;-1.77,5.02,;-3.24,5.5,;-4.14,4.25,;-5.48,5.02,;-5.48,3.48,;-3.24,3,;1.23,-3.19,;-.1,-2.42,)|
Show InChI InChI=1S/C30H32ClF2N3O3/c1-39-26-14-19(13-24(31)29(26)38)18-4-9-25-22(12-18)27(23(15-34-25)28(37)17-2-3-17)35-20-5-7-21(8-6-20)36-11-10-30(32,33)16-36/h4,9,12-15,17,20-21,38H,2-3,5-8,10-11,16H2,1H3,(H,34,35)
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n/an/a 290n/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))		BDBM177313
PNG
(US9120749, 679)
Show SMILES OCCNc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C26H22ClFN4O3/c27-20-10-16(11-21(28)26(20)35)15-3-5-22-18(9-15)24(19(13-30-22)25(34)14-1-2-14)32-17-4-6-23(31-12-17)29-7-8-33/h3-6,9-14,33,35H,1-2,7-8H2,(H,29,31)(H,30,32)
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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 US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177325
PNG
(US9120749, 691)
Show SMILES CN(C)C1CCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C30H29ClFN5O2/c1-36(2)21-9-10-37(16-21)27-8-6-20(14-34-27)35-28-22-11-18(19-12-24(31)30(39)25(32)13-19)5-7-26(22)33-15-23(28)29(38)17-3-4-17/h5-8,11-15,17,21,39H,3-4,9-10,16H2,1-2H3,(H,33,35)
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n/an/a 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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177328
PNG
(US9120749, 694 | US9120749, 695)
Show SMILES CN(C)C1CCN(Cc2ccc(Nc3c(cnc4ccc(cc34)-c3cc(Cl)c(O)c(Cl)c3)C(=O)C3CC3)cc2)C1
Show InChI InChI=1S/C32H32Cl2N4O2/c1-37(2)24-11-12-38(18-24)17-19-3-8-23(9-4-19)36-30-25-13-21(22-14-27(33)32(40)28(34)15-22)7-10-29(25)35-16-26(30)31(39)20-5-6-20/h3-4,7-10,13-16,20,24,40H,5-6,11-12,17-18H2,1-2H3,(H,35,36)
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n/an/a 7.20n/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))		BDBM177337
PNG
(US9120749, 703)
Show SMILES CN1CCCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C28H27Cl2N5O2/c1-34-8-2-3-20(15-34)35-14-19(12-32-35)33-26-21-9-17(18-10-23(29)28(37)24(30)11-18)6-7-25(21)31-13-22(26)27(36)16-4-5-16/h6-7,9-14,16,20,37H,2-5,8,15H2,1H3,(H,31,33)
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n/an/a 1.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		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))		BDBM177341
PNG
(US9120749, 707)
Show SMILES CN(C)CC(O)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C29H27ClFN3O3/c1-34(2)15-26(35)16-5-8-20(9-6-16)33-27-21-11-18(19-12-23(30)29(37)24(31)13-19)7-10-25(21)32-14-22(27)28(36)17-3-4-17/h5-14,17,26,35,37H,3-4,15H2,1-2H3,(H,32,33)
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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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177366
PNG
(US9120749, 732 | US9120749, 733)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN5O2/c1-15(35)21-13-31-24-6-4-16(17-10-22(28)27(36)23(29)11-17)9-20(24)26(21)33-19-5-7-25(32-12-19)34-8-2-3-18(30)14-34/h4-7,9-13,18,36H,2-3,8,14,30H2,1H3,(H,31,33)
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n/an/a 0.990n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177383
PNG
(US9120749, 749)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC(O)C4)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.34,-3.51,;-6,-4.28,;-4.67,-3.51,;-3.33,-4.28,;-2,-3.51,;-2,-1.97,;-3.33,-1.2,;-3.33,.34,;-4.67,-1.97,;-6,-1.2,;-.67,-4.28,;-.67,-5.82,;.67,-6.59,;2,-5.82,;3.33,-6.59,;4.67,-5.82,;4.67,-4.28,;6,-3.51,;7.34,-4.28,;6,-1.97,;3.33,-3.51,;3.33,-1.73,;2,-.96,;2,.58,;.67,1.35,;-.67,.58,;-2,1.35,;-2,2.89,;-3.25,3.79,;-2.77,5.26,;-1.23,5.26,;-.46,6.59,;-.75,3.79,;-.67,-.96,;.67,-1.73,;2,-4.28,;.67,-3.51,)|
Show InChI InChI=1S/C29H34ClN3O4/c1-17(34)24-14-31-26-8-5-19(20-12-25(30)29(36)27(13-20)37-2)11-23(26)28(24)32-21-6-3-18(4-7-21)15-33-10-9-22(35)16-33/h5,8,11-14,18,21-22,35-36H,3-4,6-7,9-10,15-16H2,1-2H3,(H,31,32)/t18-,21-,22?
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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))		BDBM177385
PNG
(US9120749, 751)
Show SMILES CN(C)C[C@@H]1CCC[C@H](C1)Nc1c(cnc2ccc(cc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r|
Show InChI InChI=1S/C26H29ClFN3O2/c1-15(32)21-13-29-24-8-7-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-6-4-5-16(9-19)14-31(2)3/h7-8,10-13,16,19,33H,4-6,9,14H2,1-3H3,(H,29,30)/t16-,19-/m1/s1
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n/an/a 6.70n/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))		BDBM177387
PNG
(US9120749, 753)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-4.28,;5.33,-3.51,;5.33,-1.97,;4,-4.28,;4,-5.82,;2.67,-6.59,;1.33,-5.82,;,-6.59,;-1.33,-5.82,;-1.33,-4.28,;,-3.51,;1.33,-4.28,;2.67,-3.51,;2.67,-1.73,;1.33,-.96,;1.33,.58,;,1.35,;-1.33,.58,;-2.67,1.35,;-2.67,2.89,;-3.91,3.79,;-3.44,5.26,;-1.9,5.26,;-1.13,6.59,;-1.42,3.79,;-1.33,-.96,;,-1.73,;-2.67,-3.51,;-2.67,-1.97,;-4,-1.2,;-4,.34,;-5.33,-1.97,;-6.67,-1.2,;-5.33,-3.51,;-6.67,-4.28,;-4,-4.28,)|
Show InChI InChI=1S/C28H31Cl2N3O3/c1-16(34)23-13-31-26-7-4-18(19-11-24(29)28(36)25(30)12-19)10-22(26)27(23)32-20-5-2-17(3-6-20)14-33-9-8-21(35)15-33/h4,7,10-13,17,20-21,35-36H,2-3,5-6,8-9,14-15H2,1H3,(H,31,32)/t17-,20-,21?
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n/an/a 1.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177395
PNG
(US9120749, 761)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C27H25Cl2N5O2/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 2.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		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))		BDBM177401
PNG
(US9120749, 767 | US9120749, 768)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-4.17,;5.33,-3.4,;5.33,-1.86,;4,-4.17,;4,-5.71,;2.67,-6.48,;1.33,-5.71,;,-6.48,;-1.33,-5.71,;-1.33,-4.17,;,-3.4,;1.33,-4.17,;2.67,-3.4,;2.67,-1.86,;1.58,-.77,;.09,-1.17,;-1,-.08,;-.6,1.41,;-1.69,2.5,;-1.29,3.99,;.17,4.46,;.17,6,;-1.29,6.48,;-2.2,5.23,;.89,1.81,;1.98,.72,;-2.67,-3.4,;-2.67,-1.86,;-4,-1.09,;-4,.45,;-5.33,-1.86,;-6.67,-1.09,;-5.33,-3.4,;-6.67,-4.17,;-4,-4.17,)|
Show InChI InChI=1S/C28H31Cl2N3O2/c1-17(34)23-15-31-26-9-6-19(20-13-24(29)28(35)25(30)14-20)12-22(26)27(23)32-21-7-4-18(5-8-21)16-33-10-2-3-11-33/h6,9,12-15,18,21,35H,2-5,7-8,10-11,16H2,1H3,(H,31,32)/t18-,21-
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n/an/a 1.5n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177406
PNG
(US9120749, 772)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-3.97,;5.33,-3.2,;5.33,-1.66,;4,-3.97,;4,-5.51,;2.67,-6.28,;1.33,-5.51,;,-6.28,;-1.33,-5.51,;-1.33,-3.97,;,-3.2,;1.33,-3.97,;2.67,-3.2,;2.67,-1.42,;1.33,-.65,;,-1.42,;-1.33,-.65,;-1.33,.89,;-2.67,1.66,;-2.67,3.2,;-1.33,3.97,;-1.33,5.51,;-2.67,6.28,;-4,5.51,;-4,3.97,;,1.66,;1.33,.89,;-2.67,-3.2,;-2.67,-1.66,;-4,-.89,;-4,.65,;-5.33,-1.66,;-6.67,-.89,;-5.33,-3.2,;-6.67,-3.97,;-4,-3.97,)|
Show InChI InChI=1S/C28H32Cl2N4O2/c1-17(35)23-15-32-26-7-4-19(20-13-24(29)28(36)25(30)14-20)12-22(26)27(23)33-21-5-2-18(3-6-21)16-34-10-8-31-9-11-34/h4,7,12-15,18,21,31,36H,2-3,5-6,8-11,16H2,1H3,(H,32,33)/t18-,21-
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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))		BDBM177413
PNG
(US9120749, 779)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC(N)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.55,-4.13,;5.21,-3.36,;5.21,-1.82,;3.88,-4.13,;3.88,-5.67,;2.55,-6.44,;1.21,-5.67,;-.12,-6.44,;-1.46,-5.67,;-1.46,-4.13,;-.12,-3.36,;1.21,-4.13,;2.55,-3.36,;2.55,-1.58,;1.21,-.81,;-.12,-1.58,;-1.46,-.81,;-1.46,.73,;-2.79,1.5,;-2.79,3.04,;-4.12,3.81,;-4.12,5.35,;-1.46,5.35,;-.37,6.44,;-1.46,3.81,;-.12,1.5,;1.21,.73,;-2.79,-3.36,;-2.79,-1.82,;-4.12,-1.05,;-4.12,.49,;-5.46,-1.82,;-6.79,-1.05,;-5.46,-3.36,;-6.79,-4.13,;-4.12,-4.13,)|
Show InChI InChI=1S/C28H32Cl2N4O2/c1-16(35)23-13-32-26-7-4-18(19-11-24(29)28(36)25(30)12-19)10-22(26)27(23)33-21-5-2-17(3-6-21)14-34-9-8-20(31)15-34/h4,7,10-13,17,20-21,36H,2-3,5-6,8-9,14-15,31H2,1H3,(H,32,33)/t17-,20?,21-
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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))		BDBM177414
PNG
(US9120749, 780)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](CN4CCC(N)C4)CC3)c2c1 |r,wU:22.22,wD:25.26,(-7.46,-3.36,;-6.12,-4.13,;-4.79,-3.36,;-3.46,-4.13,;-2.12,-3.36,;-2.12,-1.82,;-3.46,-1.05,;-3.46,.49,;-4.79,-1.82,;-6.12,-1.05,;-.79,-4.13,;-.79,-5.67,;.55,-6.44,;1.88,-5.67,;3.21,-6.44,;4.55,-5.67,;4.55,-4.13,;5.88,-3.36,;7.21,-4.13,;5.88,-1.82,;3.21,-3.36,;3.21,-1.58,;1.88,-.81,;.55,-1.58,;-.79,-.81,;-.79,.73,;-2.12,1.5,;-2.12,3.04,;-3.46,3.81,;-3.46,5.35,;-.79,5.35,;.3,6.44,;-.79,3.81,;.55,1.5,;1.88,.73,;1.88,-4.13,;.55,-3.36,)|
Show InChI InChI=1S/C29H35ClN4O3/c1-17(35)24-14-32-26-8-5-19(20-12-25(30)29(36)27(13-20)37-2)11-23(26)28(24)33-22-6-3-18(4-7-22)15-34-10-9-21(31)16-34/h5,8,11-14,18,21-22,36H,3-4,6-7,9-10,15-16,31H2,1-2H3,(H,32,33)/t18-,21?,22-
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n/an/a 2n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177417
PNG
(US9120749, 783)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.55,-3.97,;5.21,-3.2,;5.21,-1.66,;3.88,-3.97,;3.88,-5.51,;2.55,-6.28,;1.21,-5.51,;-.12,-6.28,;-1.46,-5.51,;-1.46,-3.97,;-.12,-3.2,;1.21,-3.97,;2.55,-3.2,;2.55,-1.42,;1.21,-.65,;-.12,-1.42,;-1.46,-.65,;-1.46,.89,;-2.79,1.66,;-2.79,3.2,;-1.46,3.97,;-1.46,5.51,;-2.79,6.28,;-4.12,5.51,;-4.12,3.97,;-.12,1.66,;1.21,.89,;-2.79,-3.2,;-2.79,-1.66,;-4.12,-.89,;-4.12,.65,;-5.46,-1.66,;-6.79,-.89,;-5.46,-3.2,;-6.79,-3.97,;-4.12,-3.97,)|
Show InChI InChI=1S/C28H32ClFN4O2/c1-17(35)23-15-32-26-7-4-19(20-13-24(29)28(36)25(30)14-20)12-22(26)27(23)33-21-5-2-18(3-6-21)16-34-10-8-31-9-11-34/h4,7,12-15,18,21,31,36H,2-3,5-6,8-11,16H2,1H3,(H,32,33)/t18-,21-
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n/an/a 8.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177424
PNG
(US9120749, 790)
Show SMILES CCN(CC)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)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,;-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,-2.69,;6.67,-3.46,;5.33,-1.15,)|
Show InChI InChI=1S/C28H33Cl2N3O2/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 1.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		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))		BDBM177431
PNG
(US9120749, 797 | US9120749, 798)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cccc(CCN4CCCC4)c3)c2c1
Show InChI InChI=1S/C31H29Cl2N3O2/c32-26-16-22(17-27(33)31(26)38)21-8-9-28-24(15-21)29(25(18-34-28)30(37)20-6-7-20)35-23-5-3-4-19(14-23)10-13-36-11-1-2-12-36/h3-5,8-9,14-18,20,38H,1-2,6-7,10-13H2,(H,34,35)
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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))		BDBM177444
PNG
(US9120749, 810)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC(N)C2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.52,-3.83,;5.19,-3.06,;5.19,-1.52,;3.86,-3.83,;3.86,-5.37,;2.52,-6.14,;1.19,-5.37,;-.15,-6.14,;-1.48,-5.37,;-1.48,-3.83,;-.15,-3.06,;1.19,-3.83,;2.52,-3.06,;2.52,-1.52,;1.19,-.75,;-.15,-1.52,;-1.48,-.75,;-1.48,.79,;-2.81,1.56,;-2.81,3.1,;-4.15,3.87,;-4.15,5.41,;-2.81,6.18,;-1.48,5.41,;-.15,6.18,;-1.48,3.87,;-.15,1.56,;1.19,.79,;-2.81,-3.06,;-2.81,-1.52,;-4.15,-.75,;-4.15,.79,;-5.48,-1.52,;-6.81,-.75,;-5.48,-3.06,;-6.81,-3.83,;-4.15,-3.83,)|
Show InChI InChI=1S/C29H34Cl2N4O2/c1-17(36)24-14-33-27-9-6-19(20-12-25(30)29(37)26(31)13-20)11-23(27)28(24)34-22-7-4-18(5-8-22)15-35-10-2-3-21(32)16-35/h6,9,11-14,18,21-22,37H,2-5,7-8,10,15-16,32H2,1H3,(H,33,34)/t18-,21?,22-
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n/an/a 1.80n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177452
PNG
(US9120749, 818)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC(N)C2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.5,-4.41,;5.16,-3.64,;5.16,-2.1,;3.83,-4.41,;3.83,-5.95,;2.5,-6.72,;1.16,-5.95,;-.17,-6.72,;-1.5,-5.95,;-1.5,-4.41,;-.17,-3.64,;1.16,-4.41,;2.5,-3.64,;2.5,-2.1,;1.41,-1.01,;1.81,.48,;.72,1.57,;-.77,1.17,;-1.86,2.26,;-1.46,3.74,;-2.55,4.83,;-2.15,6.32,;-.66,6.72,;.43,5.63,;1.91,6.03,;.03,4.14,;-1.17,-.32,;-.08,-1.41,;-2.84,-3.64,;-2.84,-2.1,;-4.17,-1.33,;-4.17,.21,;-5.5,-2.1,;-6.84,-1.33,;-5.5,-3.64,;-6.84,-4.41,;-4.17,-4.41,)|
Show InChI InChI=1S/C29H34ClFN4O2/c1-17(36)24-14-33-27-9-6-19(20-12-25(30)29(37)26(31)13-20)11-23(27)28(24)34-22-7-4-18(5-8-22)15-35-10-2-3-21(32)16-35/h6,9,11-14,18,21-22,37H,2-5,7-8,10,15-16,32H2,1H3,(H,33,34)/t18-,21?,22-
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n/an/a 4.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177476
PNG
(US9120749, 842)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2cc(c(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(F)(F)F)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.77,5.66,;-3.44,4.89,;-2.1,5.66,;-3.44,3.35,;-2.1,2.58,;-.77,3.35,;.56,2.58,;.56,1.04,;-.77,.27,;-2.1,1.04,;1.9,.27,;1.9,-1.25,;3.23,-2.02,;3.23,-3.56,;1.9,-4.33,;.56,-3.56,;-.77,-4.33,;-2.1,-3.56,;-2.1,-2.02,;-.77,-1.25,;.56,-2.02,;-3.44,-1.25,;-3.44,.29,;-4.77,1.06,;-4.77,2.41,;-6.1,.29,;-7.44,1.06,;-6.1,-1.25,;-7.44,-2.02,;-4.77,-2.02,;-3.44,-4.33,;-4.21,-2.99,;-2.67,-5.66,;-4.77,-5.1,;4.56,-1.25,;4.56,.29,;5.9,-2.02,;6.67,-3.35,;7.44,-2.02,)|
Show InChI InChI=1S/C29H30Cl2F3N3O2/c1-37(2)14-15-3-7-18(8-4-15)36-26-20-11-19(17-9-23(30)28(39)24(31)10-17)22(29(32,33)34)12-25(20)35-13-21(26)27(38)16-5-6-16/h9-13,15-16,18,39H,3-8,14H2,1-2H3,(H,35,36)/t15-,18-
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n/an/a 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 US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177477
PNG
(US9120749, 843)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)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/C29H33Cl2N3O2/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 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))		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))		BDBM177513
PNG
(US9120749, 880)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1cncc(CCN2CCCC2)c1)-c1cc(F)c(O)c(Cl)c1
Show InChI InChI=1S/C28H26ClFN4O2/c1-17(35)23-16-32-26-5-4-19(20-12-24(29)28(36)25(30)13-20)11-22(26)27(23)33-21-10-18(14-31-15-21)6-9-34-7-2-3-8-34/h4-5,10-16,36H,2-3,6-9H2,1H3,(H,32,33)
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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
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* indicates data uncertainty>20%