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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E'   
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
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533247
PNG
(CHEMBL4470356)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533247
PNG
(CHEMBL4470356)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533251
PNG
(CHEMBL4579540)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533251
PNG
(CHEMBL4579540)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533246
PNG
(CHEMBL4549646)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4Cl)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C29H27ClF4N4O4S/c1-16-14-17(8-11-20(16)31)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)30)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533246
PNG
(CHEMBL4549646)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4Cl)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C29H27ClF4N4O4S/c1-16-14-17(8-11-20(16)31)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)30)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533249
PNG
(CHEMBL4468555)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533249
PNG
(CHEMBL4468555)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533248
PNG
(CHEMBL4515745)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533248
PNG
(CHEMBL4515745)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533245
PNG
(CHEMBL4579162)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CSc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H27Cl2FN4O2S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(37-4)35(22)26)28(36)34(13-12-33(2)3)21-15-38-27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533245
PNG
(CHEMBL4579162)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CSc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H27Cl2FN4O2S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(37-4)35(22)26)28(36)34(13-12-33(2)3)21-15-38-27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533244
PNG
(CHEMBL4466617)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CCc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C29H29Cl2FN4O2/c1-17-16-18(8-12-22(17)32)28-27(33-24-6-5-7-25(38-4)36(24)28)29(37)35(15-14-34(2)3)23-13-10-20-19(23)9-11-21(30)26(20)31/h5-9,11-12,16,23H,10,13-15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533244
PNG
(CHEMBL4466617)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CCc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C29H29Cl2FN4O2/c1-17-16-18(8-12-22(17)32)28-27(33-24-6-5-7-25(38-4)36(24)28)29(37)35(15-14-34(2)3)23-13-10-20-19(23)9-11-21(30)26(20)31/h5-9,11-12,16,23H,10,13-15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533250
PNG
(CHEMBL4483703)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CNc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H28Cl2FN5O2/c1-16-14-17(8-11-20(16)31)27-26(33-22-6-5-7-23(38-4)36(22)27)28(37)35(13-12-34(2)3)21-15-32-25-18(21)9-10-19(29)24(25)30/h5-11,14,21,32H,12-13,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533250
PNG
(CHEMBL4483703)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CNc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H28Cl2FN5O2/c1-16-14-17(8-11-20(16)31)27-26(33-22-6-5-7-23(38-4)36(22)27)28(37)35(13-12-34(2)3)21-15-32-25-18(21)9-10-19(29)24(25)30/h5-11,14,21,32H,12-13,15H2,1-4H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438555
PNG
(CHEMBL2413142)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Br)c2n1-c1ccc(F)cc1
Show InChI InChI=1S/C24H21BrCl2FN3OS/c1-29(2)9-10-30(13-15-3-8-19(26)20(27)11-15)24(32)21-12-22-23(18(25)14-33-22)31(21)17-6-4-16(28)5-7-17/h3-8,11-12,14H,9-10,13H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438554
PNG
(CHEMBL2413143)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Cl)c2n1-c1ccc(F)cc1
Show InChI InChI=1S/C24H21Cl3FN3OS/c1-29(2)9-10-30(13-15-3-8-18(25)19(26)11-15)24(32)21-12-22-23(20(27)14-33-22)31(21)17-6-4-16(28)5-7-17/h3-8,11-12,14H,9-10,13H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438549
PNG
(CHEMBL2413146)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2cccc(Br)n2c1-c1ccc(F)cc1
Show InChI InChI=1S/C25H22BrCl2FN4O/c1-31(2)12-13-32(15-16-6-11-19(27)20(28)14-16)25(34)23-24(17-7-9-18(29)10-8-17)33-21(26)4-3-5-22(33)30-23/h3-11,14H,12-13,15H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438562
PNG
(CHEMBL2413135)
Show SMILES CN(C)CCn1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc(F)cc2)c2cscc2c1=O
Show InChI InChI=1S/C26H24Cl2FN3O2S/c1-30(2)10-11-32-24(26(34)31(3)13-16-4-9-21(27)22(28)12-16)23(17-5-7-18(29)8-6-17)19-14-35-15-20(19)25(32)33/h4-9,12,14-15H,10-11,13H2,1-3H3
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n/an/a 72n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438560
PNG
(CHEMBL2413137)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C
Show InChI InChI=1S/C26H24Cl2FN3O2S/c1-30(2)10-11-32(13-16-4-9-21(27)22(28)12-16)26(34)24-23(17-5-7-18(29)8-6-17)19-14-35-15-20(19)25(33)31(24)3/h4-9,12,14-15H,10-11,13H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438553
PNG
(CHEMBL2413144)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(c2n1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H21Cl2F4N3OS/c1-32(2)9-10-33(13-15-3-8-19(26)20(27)11-15)24(35)21-12-22-23(18(14-36-22)25(29,30)31)34(21)17-6-4-16(28)5-7-17/h3-8,11-12,14H,9-10,13H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438561
PNG
(CHEMBL2413136)
Show SMILES CN(C)CCCn1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc(F)cc2)c2cscc2c1=O
Show InChI InChI=1S/C27H26Cl2FN3O2S/c1-31(2)11-4-12-33-25(27(35)32(3)14-17-5-10-22(28)23(29)13-17)24(18-6-8-19(30)9-7-18)20-15-36-16-21(20)26(33)34/h5-10,13,15-16H,4,11-12,14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438556
PNG
(CHEMBL2413141)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C)c2n1-c1ccc(F)cc1
Show InChI InChI=1S/C25H24Cl2FN3OS/c1-16-15-33-23-13-22(31(24(16)23)19-7-5-18(28)6-8-19)25(32)30(11-10-29(2)3)14-17-4-9-20(26)21(27)12-17/h4-9,12-13,15H,10-11,14H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438552
PNG
(CHEMBL2413145)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C#N)c2n1-c1ccc(F)cc1
Show InChI InChI=1S/C25H21Cl2FN4OS/c1-30(2)9-10-31(14-16-3-8-20(26)21(27)11-16)25(33)22-12-23-24(17(13-29)15-34-23)32(22)19-6-4-18(28)5-7-19/h3-8,11-12,15H,9-10,14H2,1-2H3
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n/an/a 540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438550
PNG
(CHEMBL2413133)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C
Show InChI InChI=1S/C23H17Cl2FN2O2S/c1-27(10-13-3-8-18(24)19(25)9-13)23(30)21-20(14-4-6-15(26)7-5-14)16-11-31-12-17(16)22(29)28(21)2/h3-9,11-12H,10H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of CENP-E motor domain (unknown origin) by high throughput screening assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438550
PNG
(CHEMBL2413133)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C
Show InChI InChI=1S/C23H17Cl2FN2O2S/c1-27(10-13-3-8-18(24)19(25)9-13)23(30)21-20(14-4-6-15(26)7-5-14)16-11-31-12-17(16)22(29)28(21)2/h3-9,11-12H,10H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438563
PNG
(CHEMBL2413134)
Show SMILES CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1CCO
Show InChI InChI=1S/C24H19Cl2FN2O3S/c1-28(11-14-2-7-19(25)20(26)10-14)24(32)22-21(15-3-5-16(27)6-4-15)17-12-33-13-18(17)23(31)29(22)8-9-30/h2-7,10,12-13,30H,8-9,11H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438557
PNG
(CHEMBL2413140)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2sccc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C24H22Cl2FN3OS/c1-28(2)10-11-29(15-16-3-8-19(25)20(26)13-16)24(31)22-14-23-21(9-12-32-23)30(22)18-6-4-17(27)5-7-18/h3-9,12-14H,10-11,15H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438558
PNG
(CHEMBL2413139)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(C)c2ccccc2n1-c1ccc(F)cc1
Show InChI InChI=1S/C27H26Cl2FN3O/c1-18-22-6-4-5-7-25(22)33(21-11-9-20(30)10-12-21)26(18)27(34)32(15-14-31(2)3)17-19-8-13-23(28)24(29)16-19/h4-13,16H,14-15,17H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438551
PNG
(CHEMBL2413132)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C
Show InChI InChI=1S/C25H17F7N2O2S/c1-33(10-13-7-15(24(27,28)29)9-16(8-13)25(30,31)32)23(36)21-20(14-3-5-17(26)6-4-14)18-11-37-12-19(18)22(35)34(21)2/h3-9,11-12H,10H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of CENP-E motor domain (unknown origin) by high throughput screening assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50438559
PNG
(CHEMBL2413138)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2n1C
Show InChI InChI=1S/C27H26Cl2FN3O/c1-31(2)14-15-33(17-18-8-13-22(28)23(29)16-18)27(34)26-25(19-9-11-20(30)12-10-19)21-6-4-5-7-24(21)32(26)3/h4-13,16H,14-15,17H2,1-3H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay

Bioorg Med Chem 21: 5488-502 (2013)


Article DOI: 10.1016/j.bmc.2013.05.067
BindingDB Entry DOI: 10.7270/Q20G3MKN
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
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n/an/a 2.96E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay

J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50252149
PNG
((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...)
Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15|
Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human CENP-E

J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50404035
PNG
(CHEMBL5287177)
Show SMILES [O-][N+](=O)c1ccc(NCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:31.33|
Show InChI InChI=1S/C26H32N9O4/c27-19-31-26(29-12-5-11-28-22-9-10-23(35(36)37)25-24(22)32-39-33-25)30-13-6-16-38-21-8-4-7-20(17-21)18-34-14-2-1-3-15-34/h4,7-10,17,28H,1-3,5-6,11-16,18H2,(H-,29,30,31)/q-1/p+1
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n/an/a 8.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain farnesyl transferase

Citation and Details
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
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n/an/a 9.14E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay

J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50403553
PNG
(CHEMBL5266739)
Show SMILES OC(=O)[C@@H]1CS[C@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)9-11-5-2-1-3-6-11)19-12-7-4-8-15-20(17(12)22)13(10-26-15)18(23)24/h1-3,5-6,12-15,25H,4,7-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain farnesyl transferase

Citation and Details
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50403554
PNG
(CHEMBL5282512)
Show SMILES OC(=O)[C@@H]1CS[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)9-11-5-2-1-3-6-11)19-12-7-4-8-15-20(17(12)22)13(10-26-15)18(23)24/h1-3,5-6,12-15,25H,4,7-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain farnesyl transferase

Citation and Details
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533248
PNG
(CHEMBL4515745)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3
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n/an/an/an/a 79n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CENP-E in human HeLa cells assessed as HH3 phosphorylated levels after 24 hrs by FACS analysis

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533249
PNG
(CHEMBL4468555)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CENP-E in human HeLa cells assessed as HH3 phosphorylated levels after 24 hrs by FACS analysis

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533248
PNG
(CHEMBL4515745)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3
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n/an/an/an/a 79n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CENP-E in human HeLa cells assessed as HH3 phosphorylated levels after 24 hrs by FACS analysis

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533249
PNG
(CHEMBL4468555)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CENP-E in human HeLa cells assessed as HH3 phosphorylated levels after 24 hrs by FACS analysis

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair