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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E'   
Target
(Institution)
LigandTarget
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)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair