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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))		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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US Patent
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))		BDBM177234
PNG
(US9120749, 600)
Show SMILES OC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:9.12,wD:6.5,(-1.9,6.47,;-2.67,5.14,;-4.21,5.14,;-4.68,3.67,;-3.44,2.77,;-3.44,1.23,;-2.1,.46,;-2.1,-1.08,;-.77,-1.85,;.56,-1.08,;.56,.46,;-.77,1.23,;1.9,-1.85,;1.9,-3.39,;3.23,-4.16,;3.23,-5.7,;1.9,-6.47,;.56,-5.7,;-.77,-6.47,;-2.1,-5.7,;-2.1,-4.16,;-.77,-3.39,;.56,-4.16,;-3.44,-3.39,;-4.77,-4.16,;-6.1,-3.39,;-7.44,-4.16,;-6.1,-1.85,;-7.44,-1.08,;-4.77,-1.08,;-4.77,.46,;-3.44,-1.85,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;-2.19,3.67,)|
Show InChI InChI=1S/C30H33Cl2N3O3/c31-25-12-20(13-26(32)30(25)38)19-5-8-27-23(11-19)28(24(14-33-27)29(37)18-3-4-18)34-21-6-1-17(2-7-21)15-35-10-9-22(36)16-35/h5,8,11-14,17-18,21-22,36,38H,1-4,6-7,9-10,15-16H2,(H,33,34)/t17-,21-,22?
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n/an/a 0.730n/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))		BDBM177269
PNG
(US9120749, 635)
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,(-4.93,5.01,;-3.6,4.24,;-2.26,5.01,;-.93,4.24,;.41,5.01,;-3.6,2.7,;-2.26,1.92,;-2.26,.38,;-.93,-.39,;.41,.38,;.41,1.92,;-.93,2.69,;1.74,-.39,;1.74,-1.93,;3.07,-2.7,;3.07,-4.24,;1.74,-5.01,;.41,-4.24,;-.93,-5.01,;-2.26,-4.24,;-2.26,-2.7,;-.93,-1.92,;.41,-2.7,;-3.6,-1.93,;-4.93,-2.7,;-6.26,-1.93,;-7.6,-2.7,;-6.26,-.39,;-7.6,.38,;-4.93,.38,;-4.93,1.92,;-3.6,-.39,;4.41,-1.92,;4.41,-.38,;5.74,-2.69,;6.51,-4.03,;7.28,-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 0.740n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177285
PNG
(US9120749, 651)
Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
Show InChI InChI=1S/C29H27ClFN5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)/t19-/m1/s1
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n/an/a 0.760n/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))		BDBM176910
PNG
(US9120749, 276)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1
Show InChI InChI=1S/C28H32ClN3O3/c1-31(2)16-17-8-10-32(11-9-17)26-21-12-19(20-13-23(29)28(34)25(14-20)35-3)6-7-24(21)30-15-22(26)27(33)18-4-5-18/h6-7,12-15,17-18,34H,4-5,8-11,16H2,1-3H3
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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))		BDBM176958
PNG
(US9120749, 324)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-2.1,1.92,;-.77,2.69,;.56,1.92,;.56,.38,;-.77,-.38,;-2.1,.38,;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,.39,;-4.77,1.93,;-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/C28H31Cl2N3O2/c1-33(2)15-16-3-8-20(9-4-16)32-26-21-11-18(19-12-23(29)28(35)24(30)13-19)7-10-25(21)31-14-22(26)27(34)17-5-6-17/h7,10-14,16-17,20,35H,3-6,8-9,15H2,1-2H3,(H,31,32)/t16-,20-
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n/an/a 0.850n/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))		BDBM177315
PNG
(US9120749, 681)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C27H25Cl2N5O2/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 0.860n/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))		BDBM177448
PNG
(US9120749, 814)
Show SMILES CN1CCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14(33)20-11-28-23-4-3-15(16-8-21(26)25(34)22(27)9-16)7-19(23)24(20)30-17-10-29-32(12-17)18-5-6-31(2)13-18/h3-4,7-12,18,34H,5-6,13H2,1-2H3,(H,28,30)
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n/an/a 0.900n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177577
PNG
(US9120749, 944)
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,(-4.17,5,;-2.84,4.23,;-1.51,5,;-2.84,2.69,;-1.51,1.93,;-1.51,.38,;-.17,-.38,;1.16,.38,;1.16,1.93,;-.17,2.69,;2.49,-.38,;2.49,-1.93,;3.83,-2.69,;3.83,-4.23,;2.49,-5,;1.16,-4.23,;-.17,-5,;-1.51,-4.23,;-1.51,-2.69,;-.17,-1.92,;1.16,-2.69,;-2.84,-1.93,;-4.17,-2.69,;-5.51,-1.93,;-6.84,-2.69,;-5.51,-.38,;-6.84,.39,;-4.17,.38,;-4.17,1.93,;-2.84,-.38,;5.16,-1.92,;6.49,-2.69,;5.16,-.38,)|
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 0.940n/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))		BDBM177546
PNG
(US9120749, 913)
Show SMILES CS(=O)(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C26H25Cl2N5O3S/c1-37(35,36)23-13-30-22-6-4-15(16-10-20(27)26(34)21(28)11-16)9-19(22)25(23)32-18-5-7-24(31-12-18)33-8-2-3-17(29)14-33/h4-7,9-13,17,34H,2-3,8,14,29H2,1H3,(H,30,32)
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n/an/a 0.940n/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))		BDBM177284
PNG
(US9120749, 650)
Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
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)/t19-/m1/s1
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n/an/a 1n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177386
PNG
(US9120749, 752)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@@H]3CCC[C@@H](CN(C)C)C3)c2c1 |r|
Show InChI InChI=1S/C27H32ClN3O3/c1-16(32)22-14-29-24-9-8-18(19-12-23(28)27(33)25(13-19)34-4)11-21(24)26(22)30-20-7-5-6-17(10-20)15-31(2)3/h8-9,11-14,17,20,33H,5-7,10,15H2,1-4H3,(H,29,30)/t17-,20-/m1/s1
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n/an/a 1n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177260
PNG
(US9120749, 626)
Show SMILES NC1CCCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C28H26ClFN6O2/c29-22-9-17(10-23(30)27(22)38)16-5-6-24-20(8-16)25(21(13-32-24)26(37)15-3-4-15)35-19-11-33-28(34-12-19)36-7-1-2-18(31)14-36/h5-6,8-13,15,18,38H,1-4,7,14,31H2,(H,32,35)
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n/an/a 1.10n/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))		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))		BDBM177426
PNG
(US9120749, 792)
Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC[C@H]2CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,23.26,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-5.25,3.57,;-6.58,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)|
Show InChI InChI=1S/C29H33Cl2N3O3/c1-17(36)24-14-32-27-9-6-19(20-12-25(30)29(37)26(31)13-20)11-23(27)28(24)33-21-7-4-18(5-8-21)15-34-10-2-3-22(34)16-35/h6,9,11-14,18,21-22,35,37H,2-5,7-8,10,15-16H2,1H3,(H,32,33)/t18-,21-,22-/m0/s1
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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))		BDBM177071
PNG
(US9120749, 437)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CC3)C(=O)CN(C)C)c2c1
Show InChI InChI=1S/C28H31ClN4O4/c1-31(2)16-25(34)32-8-10-33(11-9-32)26-20-12-18(19-13-22(29)28(36)24(14-19)37-3)6-7-23(20)30-15-21(26)27(35)17-4-5-17/h6-7,12-15,17,36H,4-5,8-11,16H2,1-3H3
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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))		BDBM177286
PNG
(US9120749, 652)
Show SMILES CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:8.11,4.4,wD:4.3,(-4.77,5,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-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,-1.92,;.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,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
Show InChI InChI=1S/C28H31Cl2N3O3/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 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))		BDBM177235
PNG
(US9120749, 601 | US9120749, 602)
Show SMILES CC(C)(N)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C28H25Cl2N3O2/c1-28(2,31)18-6-8-19(9-7-18)33-25-20-11-16(17-12-22(29)27(35)23(30)13-17)5-10-24(20)32-14-21(25)26(34)15-3-4-15/h5-15,35H,3-4,31H2,1-2H3,(H,32,33)
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n/an/a 1.10n/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))		BDBM177280
PNG
(US9120749, 646 | US9120749, 647)
Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
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)/t19-/m0/s1
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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))		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))		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 1.20n/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))		BDBM177567
PNG
(US9120749, 934)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r|
Show InChI InChI=1S/C28H27Cl2N5O2/c1-2-25(36)21-14-32-24-7-5-16(17-11-22(29)28(37)23(30)12-17)10-20(24)27(21)34-19-6-8-26(33-13-19)35-9-3-4-18(31)15-35/h5-8,10-14,18,37H,2-4,9,15,31H2,1H3,(H,32,34)/t18-/m0/s1
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n/an/a 1.20n/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))		BDBM177273
PNG
(US9120749, 639)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(NC3CCC(C)(N)CC3)c2c1 |(-8.11,-1.61,;-6.77,-2.38,;-5.44,-1.61,;-4.1,-2.38,;-2.77,-1.61,;-2.77,-.07,;-4.1,.7,;-4.1,2.24,;-5.44,-.07,;-6.77,.7,;-1.44,-2.38,;-1.44,-3.92,;-.1,-4.69,;1.23,-3.92,;2.56,-4.69,;3.9,-3.92,;3.9,-2.38,;5.23,-1.61,;5.23,-.07,;6.57,-2.38,;7.34,-3.71,;8.11,-2.38,;2.56,-1.61,;2.56,-.07,;1.48,1.02,;1.87,2.51,;.78,3.6,;-.7,3.2,;-2.19,3.6,;-1.1,4.69,;-1.1,1.71,;-.01,.62,;1.23,-2.38,;-.1,-1.61,)|
Show InChI InChI=1S/C27H30ClN3O3/c1-27(29)9-7-18(8-10-27)31-24-19-11-16(17-12-21(28)26(33)23(13-17)34-2)5-6-22(19)30-14-20(24)25(32)15-3-4-15/h5-6,11-15,18,33H,3-4,7-10,29H2,1-2H3,(H,30,31)
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n/an/a 1.20n/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))		BDBM177573
PNG
(US9120749, 940)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.53,-1.41,;-6.2,-2.18,;-4.87,-1.41,;-3.53,-2.18,;-2.2,-1.41,;-2.2,.13,;-3.53,.9,;-3.53,2.44,;-4.87,.13,;-6.2,.9,;-.86,-2.18,;-.86,-3.72,;.47,-4.49,;1.8,-3.72,;3.14,-4.49,;4.47,-3.72,;4.47,-2.18,;5.8,-1.41,;7.14,-2.18,;5.8,.13,;3.14,-1.41,;3.14,.13,;2.05,1.22,;2.45,2.71,;1.36,3.8,;-.13,3.4,;-1.22,4.49,;-.53,1.91,;.56,.82,;1.8,-2.18,;.47,-1.41,)|
Show InChI InChI=1S/C24H26ClN3O3/c1-13(29)19-12-27-21-8-3-14(15-10-20(25)24(30)22(11-15)31-2)9-18(21)23(19)28-17-6-4-16(26)5-7-17/h3,8-12,16-17,30H,4-7,26H2,1-2H3,(H,27,28)/t16-,17-
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n/an/a 1.20n/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))		BDBM177373
PNG
(US9120749, 739 | US9120749, 740)
Show SMILES CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-5.33,3.59,;-4,4.36,;-4,5.9,;-2.67,3.59,;-2.67,2.05,;-1.33,1.28,;,2.05,;1.33,1.28,;1.33,-.26,;,-1.03,;-1.33,-.26,;2.67,-1.03,;2.67,-2.82,;4,-3.59,;4,-5.13,;2.67,-5.9,;1.33,-5.13,;,-5.9,;-1.33,-5.13,;-1.33,-3.59,;,-2.82,;1.33,-3.59,;-2.67,-2.82,;-2.67,-1.28,;-4,-.51,;-4,1.03,;-5.33,-1.28,;-6.67,-.51,;-5.33,-2.82,;-6.67,-3.59,;-4,-3.59,;5.33,-2.82,;6.67,-3.59,;5.33,-1.28,)|
Show InChI InChI=1S/C27H31Cl2N3O2/c1-16(33)22-15-30-25-9-6-18(19-13-23(28)27(34)24(29)14-19)12-21(25)26(22)31-20-7-4-17(5-8-20)10-11-32(2)3/h6,9,12-15,17,20,34H,4-5,7-8,10-11H2,1-3H3,(H,30,31)/t17-,20-
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n/an/a 1.30n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177143
PNG
(US9120749, 509)
Show SMILES NCc1ccc(Nc2c(cnc3ccc(cc23)-c2cnc(nc2)C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C25H20N6O/c26-10-15-1-6-19(7-2-15)31-24-20-9-17(18-12-29-23(11-27)30-13-18)5-8-22(20)28-14-21(24)25(32)16-3-4-16/h1-2,5-9,12-14,16H,3-4,10,26H2,(H,28,31)
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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))		BDBM176884
PNG
(US9120749, 250)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CC3)C(C)N(C)C)c2c1
Show InChI InChI=1S/C29H34ClN3O3/c1-17(32(2)3)18-9-11-33(12-10-18)27-22-13-20(21-14-24(30)29(35)26(15-21)36-4)7-8-25(22)31-16-23(27)28(34)19-5-6-19/h7-8,13-19,35H,5-6,9-12H2,1-4H3
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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))		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))		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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ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
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))		BDBM177151
PNG
(US9120749, 517)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(OC)c1)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-1.79,5.26,;-1.79,3.72,;-.7,2.63,;.78,3.03,;1.87,1.94,;1.48,.45,;-.01,.05,;-1.1,1.14,;2.56,-.64,;2.56,-2.18,;3.9,-2.95,;3.9,-4.49,;2.56,-5.26,;1.23,-4.49,;-.1,-5.26,;-1.44,-4.49,;-1.44,-2.95,;-.1,-2.18,;1.23,-2.95,;-2.77,-2.18,;-2.77,-.64,;-4.1,.13,;-4.1,1.67,;-5.44,-.64,;-6.77,.13,;-5.44,-2.18,;-6.77,-2.95,;-8.11,-2.18,;-4.1,-2.95,;5.23,-2.18,;5.23,-.64,;6.57,-2.95,;7.34,-4.28,;8.11,-2.95,)|
Show InChI InChI=1S/C27H30ClN3O3/c1-29-18-6-8-19(9-7-18)31-25-20-11-16(17-12-22(28)27(33)24(13-17)34-2)5-10-23(20)30-14-21(25)26(32)15-3-4-15/h5,10-15,18-19,29,33H,3-4,6-9H2,1-2H3,(H,30,31)/t18-,19-
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n/an/a 1.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177336
PNG
(US9120749, 702)
Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCNCC1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C26H23Cl2N5O2/c1-15(34)20-14-30-23-4-2-16(17-11-21(27)26(35)22(28)12-17)10-19(23)25(20)32-18-3-5-24(31-13-18)33-8-6-29-7-9-33/h2-5,10-14,29,35H,6-9H2,1H3,(H,30,32)
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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177156
PNG
(US9120749, 522)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cnc(nc1)C#N)C(=O)C1CC1 |r,wU:2.1,wD:5.8,(-1.79,5.26,;-1.79,3.72,;-.7,2.63,;.78,3.03,;1.87,1.94,;1.48,.45,;-.01,.05,;-1.1,1.14,;2.56,-.64,;2.56,-2.18,;3.9,-2.95,;3.9,-4.49,;2.56,-5.26,;1.23,-4.49,;-.1,-5.26,;-1.44,-4.49,;-1.44,-2.95,;-.1,-2.18,;1.23,-2.95,;-2.77,-2.18,;-4.1,-2.95,;-5.44,-2.18,;-5.44,-.64,;-4.1,.13,;-2.77,-.64,;-6.77,.13,;-8.11,.9,;5.23,-2.18,;5.23,-.64,;6.57,-2.95,;7.34,-4.28,;8.11,-2.95,)|
Show InChI InChI=1S/C25H26N6O/c1-27-18-5-7-19(8-6-18)31-24-20-10-16(17-12-29-23(11-26)30-13-17)4-9-22(20)28-14-21(24)25(32)15-2-3-15/h4,9-10,12-15,18-19,27H,2-3,5-8H2,1H3,(H,28,31)/t18-,19-
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n/an/a 1.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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

US Patent


Assay Description
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))		BDBM177218
PNG
(US9120749, 584 | US9120749, 585)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,-.41,;-6.1,-1.18,;-6.1,-2.72,;-7.44,-3.49,;-4.77,-3.49,;-3.44,-2.72,;-3.44,-1.18,;-4.77,-.41,;-4.77,1.13,;-2.1,-3.49,;-2.1,-5.03,;-.77,-5.8,;.56,-5.03,;1.9,-5.8,;3.23,-5.03,;3.23,-3.49,;4.56,-2.72,;4.56,-1.18,;5.9,-3.49,;6.67,-4.83,;7.44,-3.49,;1.9,-2.72,;1.9,-1.18,;.56,-.41,;-.77,-1.18,;-2.1,-.41,;-2.1,1.13,;-3.44,1.9,;-3.44,3.44,;-2.19,4.34,;-2.67,5.8,;-4.21,5.8,;-4.68,4.34,;-.77,1.9,;.56,1.13,;.56,-3.49,;-.77,-2.72,)|
Show InChI InChI=1S/C30H33Cl2N3O2/c31-25-14-21(15-26(32)30(25)37)20-7-10-27-23(13-20)28(24(16-33-27)29(36)19-5-6-19)34-22-8-3-18(4-9-22)17-35-11-1-2-12-35/h7,10,13-16,18-19,22,37H,1-6,8-9,11-12,17H2,(H,33,34)/t18-,22-
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n/an/a 1.40n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177470
PNG
(US9120749, 836)
Show SMILES CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1
Show InChI InChI=1S/C26H25Cl2N5O2/c1-15(34)21-13-29-24-4-3-16(17-10-22(27)26(35)23(28)11-17)9-20(24)25(21)31-18-12-30-33(14-18)19-5-7-32(2)8-6-19/h3-4,9-14,19,35H,5-8H2,1-2H3,(H,29,31)
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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177451
PNG
(US9120749, 817)
Show SMILES CCN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:5.4,wD:8.11,(-2.15,6.52,;-2.55,5.03,;-1.46,3.94,;.03,4.34,;-1.86,2.46,;-.77,1.37,;.72,1.77,;1.81,.68,;1.41,-.81,;-.08,-1.21,;-1.17,-.12,;2.5,-1.9,;2.5,-3.44,;3.83,-4.21,;3.83,-5.75,;2.5,-6.52,;1.16,-5.75,;-.17,-6.52,;-1.5,-5.75,;-1.5,-4.21,;-.17,-3.44,;1.16,-4.21,;-2.84,-3.44,;-2.84,-1.9,;-4.17,-1.13,;-4.17,.41,;-5.5,-1.9,;-6.84,-1.13,;-5.5,-3.44,;-6.84,-4.21,;-4.17,-4.21,;5.16,-3.44,;6.5,-4.21,;5.16,-1.9,)|
Show InChI InChI=1S/C27H31Cl2N3O2/c1-4-32(3)15-17-5-8-20(9-6-17)31-26-21-11-18(19-12-23(28)27(34)24(29)13-19)7-10-25(21)30-14-22(26)16(2)33/h7,10-14,17,20,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t17-,20-
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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177280
PNG
(US9120749, 646 | US9120749, 647)
Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r|
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)/t19-/m0/s1
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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))		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))		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))		BDBM177226
PNG
(US9120749, 592)
Show SMILES CN1CCC(CC1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1
Show InChI InChI=1S/C28H27ClFN5O2/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 1.5n/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))		BDBM177334
PNG
(US9120749, 700)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CNCCF)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,.38,;-6.1,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-5,;.56,-4.23,;1.9,-5,;3.23,-4.23,;3.23,-2.69,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,;1.9,-1.93,;1.9,-.38,;.56,.38,;-.77,-.38,;-2.1,.38,;-2.1,1.93,;-3.44,2.69,;-3.44,4.23,;-4.77,5,;-6.1,4.23,;-7.44,5,;-.77,2.7,;.56,1.93,;.56,-2.69,;-.77,-1.92,)|
Show InChI InChI=1S/C28H30Cl2FN3O2/c29-23-12-19(13-24(30)28(23)36)18-5-8-25-21(11-18)26(22(15-33-25)27(35)17-3-4-17)34-20-6-1-16(2-7-20)14-32-10-9-31/h5,8,11-13,15-17,20,32,36H,1-4,6-7,9-10,14H2,(H,33,34)/t16-,20-
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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))		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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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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

US Patent


Assay Description
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))		BDBM177103
PNG
(US9120749, 469)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cnc(nc2)C#N)C(=O)C2CC2)cn1
Show InChI InChI=1S/C28H26N8O/c1-35-8-10-36(11-9-35)26-7-5-21(16-33-26)34-27-22-12-19(20-14-31-25(13-29)32-15-20)4-6-24(22)30-17-23(27)28(37)18-2-3-18/h4-7,12,14-18H,2-3,8-11H2,1H3,(H,30,34)
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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


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

US Patent


Assay Description
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))		BDBM177458
PNG
(US9120749, 824)
Show SMILES CCC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C28H27Cl2N5O2/c1-2-25(36)21-14-32-24-7-5-16(17-11-22(29)28(37)23(30)12-17)10-20(24)27(21)34-19-6-8-26(33-13-19)35-9-3-4-18(31)15-35/h5-8,10-14,18,37H,2-4,9,15,31H2,1H3,(H,32,34)
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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177154
PNG
(US9120749, 520)
Show SMILES Oc1c(F)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(Nc3cnn(c3)C3CCNCC3)c2c1
Show InChI InChI=1S/C27H25ClFN5O2/c28-22-10-17(11-23(29)27(22)36)16-3-4-24-20(9-16)25(21(13-31-24)26(35)15-1-2-15)33-18-12-32-34(14-18)19-5-7-30-8-6-19/h3-4,9-15,19,30,36H,1-2,5-8H2,(H,31,33)
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ONCOTHERAPY SCIENCE, INC.

US Patent


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

US Patent US9120749 (2015)


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


(Homo sapiens (Human))		BDBM177247
PNG
(US9120749, 613 | US9120749, 614)
Show SMILES CN(C)CCc1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C29H27Cl2N3O2/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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ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
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%