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PubMed code 26804230

Compile data set for download or QSAR
Found 48 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
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139157
PNG
(CHEMBL3764588)
Show SMILES Cl.Cn1nccc1-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-25(8-11-35-38)19-12-20(14-21(13-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(16-18(17)15-22)41-26-9-10-34-28-24(26)6-7-27(39)37-28;/h3,5,8-14,16,22H,2,4,6-7,15H2,1H3,(H,36,40)(H,34,37,39);1H/t22-;/m1./s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139150
PNG
(CHEMBL3763999)
Show SMILES Cl.N[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O4.ClH/c29-28(30,31)19-10-17(23(32)14-36)9-18(11-19)27(38)34-20-3-1-15-2-4-21(13-16(15)12-20)39-24-7-8-33-26-22(24)5-6-25(37)35-26;/h2,4,7-11,13,20,23,36H,1,3,5-6,12,14,32H2,(H,34,38)(H,33,35,37);1H/t20-,23-;/m1./s1
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139149
PNG
(CHEMBL3765012)
Show SMILES Cl.Cl.NC1(CCC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H29F3N4O3.2ClH/c31-30(32,33)21-13-19(12-20(16-21)29(34)9-1-10-29)28(39)36-22-4-2-17-3-5-23(15-18(17)14-22)40-25-8-11-35-27-24(25)6-7-26(38)37-27;;/h3,5,8,11-13,15-16,22H,1-2,4,6-7,9-10,14,34H2,(H,36,39)(H,35,37,38);2*1H/t22-;;/m1../s1
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139147
PNG
(CHEMBL3765509)
Show SMILES Cl.Cl.CCNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3.2ClH/c1-2-33-16-17-11-20(13-21(12-17)29(30,31)32)28(38)35-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-34-27-24(25)7-8-26(37)36-27;;/h4,6,9-13,15,22,33H,2-3,5,7-8,14,16H2,1H3,(H,35,38)(H,34,36,37);2*1H/t22-;;/m1../s1
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139153
PNG
(CHEMBL3765355)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cnc[nH]1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-10-18(24-14-33-15-35-24)9-19(11-20)28(39)36-21-3-1-16-2-4-22(13-17(16)12-21)40-25-7-8-34-27-23(25)5-6-26(38)37-27/h2,4,7-11,13-15,21H,1,3,5-6,12H2,(H,33,35)(H,36,39)(H,34,37,38)/t21-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139156
PNG
(CHEMBL3763694)
Show SMILES Cl.Cl.Cn1cnc(c1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.2ClH/c1-38-15-25(35-16-38)19-10-20(12-21(11-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(14-18(17)13-22)41-26-8-9-34-28-24(26)6-7-27(39)37-28;;/h3,5,8-12,14-16,22H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);2*1H/t22-;;/m1../s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139158
PNG
(CHEMBL3763646)
Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339621
PNG
(3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...)
Show SMILES CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O3/c1-32-15-16-10-19(12-20(11-16)28(29,30)31)27(37)34-21-4-2-17-3-5-22(14-18(17)13-21)38-24-8-9-33-26-23(24)6-7-25(36)35-26/h3,5,8-12,14,21,32H,2,4,6-7,13,15H2,1H3,(H,34,37)(H,33,35,36)/t21-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139151
PNG
(CHEMBL3764870)
Show SMILES Cl.Cl.OC1(CNC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H27F3N4O4.2ClH/c30-29(31,32)20-10-18(9-19(13-20)28(39)14-33-15-28)27(38)35-21-3-1-16-2-4-22(12-17(16)11-21)40-24-7-8-34-26-23(24)5-6-25(37)36-26;;/h2,4,7-10,12-13,21,33,39H,1,3,5-6,11,14-15H2,(H,35,38)(H,34,36,37);2*1H/t21-;;/m1../s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139155
PNG
(CHEMBL3765708)
Show SMILES Cl.FC(F)(F)c1cc(cc(c1)-c1cn[nH]c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3.ClH/c30-29(31,32)21-10-17(20-14-34-35-15-20)9-19(11-21)28(39)36-22-3-1-16-2-4-23(13-18(16)12-22)40-25-7-8-33-27-24(25)5-6-26(38)37-27;/h2,4,7-11,13-15,22H,1,3,5-6,12H2,(H,34,35)(H,36,39)(H,33,37,38);1H/t22-;/m1./s1
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139148
PNG
(CHEMBL3764101)
Show SMILES Cl.Cl.NCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C27H25F3N4O3.2ClH/c28-27(29,30)19-10-15(14-31)9-18(11-19)26(36)33-20-3-1-16-2-4-21(13-17(16)12-20)37-23-7-8-32-25-22(23)5-6-24(35)34-25;;/h2,4,7-11,13,20H,1,3,5-6,12,14,31H2,(H,33,36)(H,32,34,35);2*1H/t20-;;/m1../s1
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139159
PNG
(CHEMBL3765596)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H22F3N3O3/c27-26(28,29)18-3-1-2-16(12-18)25(34)31-19-6-4-15-5-7-20(14-17(15)13-19)35-22-10-11-30-24-21(22)8-9-23(33)32-24/h1-3,5,7,10-12,14,19H,4,6,8-9,13H2,(H,31,34)(H,30,32,33)/t19-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139152
PNG
(CHEMBL3764275)
Show SMILES OCC1COCCN1Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C32H33F3N4O5/c33-32(34,35)23-12-19(16-39-9-10-43-18-25(39)17-40)11-22(13-23)31(42)37-24-3-1-20-2-4-26(15-21(20)14-24)44-28-7-8-36-30-27(28)5-6-29(41)38-30/h2,4,7-8,11-13,15,24-25,40H,1,3,5-6,9-10,14,16-18H2,(H,37,42)(H,36,38,41)/t24-,25?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139154
PNG
(CHEMBL3765074)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139158
PNG
(CHEMBL3763646)
Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139153
PNG
(CHEMBL3765355)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cnc[nH]1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-10-18(24-14-33-15-35-24)9-19(11-20)28(39)36-21-3-1-16-2-4-22(13-17(16)12-21)40-25-7-8-34-27-23(25)5-6-26(38)37-27/h2,4,7-11,13-15,21H,1,3,5-6,12H2,(H,33,35)(H,36,39)(H,34,37,38)/t21-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339621
PNG
(3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...)
Show SMILES CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O3/c1-32-15-16-10-19(12-20(11-16)28(29,30)31)27(37)34-21-4-2-17-3-5-22(14-18(17)13-21)38-24-8-9-33-26-23(24)6-7-25(36)35-26/h3,5,8-12,14,21,32H,2,4,6-7,13,15H2,1H3,(H,34,37)(H,33,35,36)/t21-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139155
PNG
(CHEMBL3765708)
Show SMILES Cl.FC(F)(F)c1cc(cc(c1)-c1cn[nH]c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3.ClH/c30-29(31,32)21-10-17(20-14-34-35-15-20)9-19(11-21)28(39)36-22-3-1-16-2-4-23(13-18(16)12-22)40-25-7-8-33-27-24(25)5-6-26(38)37-27;/h2,4,7-11,13-15,22H,1,3,5-6,12H2,(H,34,35)(H,36,39)(H,33,37,38);1H/t22-;/m1./s1
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n/an/a 55n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139147
PNG
(CHEMBL3765509)
Show SMILES Cl.Cl.CCNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3.2ClH/c1-2-33-16-17-11-20(13-21(12-17)29(30,31)32)28(38)35-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-34-27-24(25)7-8-26(37)36-27;;/h4,6,9-13,15,22,33H,2-3,5,7-8,14,16H2,1H3,(H,35,38)(H,34,36,37);2*1H/t22-;;/m1../s1
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n/an/a 56n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139149
PNG
(CHEMBL3765012)
Show SMILES Cl.Cl.NC1(CCC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H29F3N4O3.2ClH/c31-30(32,33)21-13-19(12-20(16-21)29(34)9-1-10-29)28(39)36-22-4-2-17-3-5-23(15-18(17)14-22)40-25-8-11-35-27-24(25)6-7-26(38)37-27;;/h3,5,8,11-13,15-16,22H,1-2,4,6-7,9-10,14,34H2,(H,36,39)(H,35,37,38);2*1H/t22-;;/m1../s1
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n/an/a 67n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139157
PNG
(CHEMBL3764588)
Show SMILES Cl.Cn1nccc1-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-25(8-11-35-38)19-12-20(14-21(13-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(16-18(17)15-22)41-26-9-10-34-28-24(26)6-7-27(39)37-28;/h3,5,8-14,16,22H,2,4,6-7,15H2,1H3,(H,36,40)(H,34,37,39);1H/t22-;/m1./s1
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n/an/a 74n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139154
PNG
(CHEMBL3765074)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/m1/s1
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n/an/a 121n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139156
PNG
(CHEMBL3763694)
Show SMILES Cl.Cl.Cn1cnc(c1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.2ClH/c1-38-15-25(35-16-38)19-10-20(12-21(11-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(14-18(17)13-22)41-26-8-9-34-28-24(26)6-7-27(39)37-28;;/h3,5,8-12,14-16,22H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);2*1H/t22-;;/m1../s1
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n/an/a 123n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139150
PNG
(CHEMBL3763999)
Show SMILES Cl.N[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O4.ClH/c29-28(30,31)19-10-17(23(32)14-36)9-18(11-19)27(38)34-20-3-1-15-2-4-21(13-16(15)12-20)39-24-7-8-33-26-22(24)5-6-25(37)35-26;/h2,4,7-11,13,20,23,36H,1,3,5-6,12,14,32H2,(H,34,38)(H,33,35,37);1H/t20-,23-;/m1./s1
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n/an/a 207n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139152
PNG
(CHEMBL3764275)
Show SMILES OCC1COCCN1Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C32H33F3N4O5/c33-32(34,35)23-12-19(16-39-9-10-43-18-25(39)17-40)11-22(13-23)31(42)37-24-3-1-20-2-4-26(15-21(20)14-24)44-28-7-8-36-30-27(28)5-6-29(41)38-30/h2,4,7-8,11-13,15,24-25,40H,1,3,5-6,9-10,14,16-18H2,(H,37,42)(H,36,38,41)/t24-,25?/m1/s1
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n/an/a 254n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139148
PNG
(CHEMBL3764101)
Show SMILES Cl.Cl.NCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C27H25F3N4O3.2ClH/c28-27(29,30)19-10-15(14-31)9-18(11-19)26(36)33-20-3-1-16-2-4-21(13-17(16)12-20)37-23-7-8-32-25-22(23)5-6-24(35)34-25;;/h2,4,7-11,13,20H,1,3,5-6,12,14,31H2,(H,33,36)(H,32,34,35);2*1H/t20-;;/m1../s1
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n/an/a 274n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139159
PNG
(CHEMBL3765596)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H22F3N3O3/c27-26(28,29)18-3-1-2-16(12-18)25(34)31-19-6-4-15-5-7-20(14-17(15)13-19)35-22-10-11-30-24-21(22)8-9-23(33)32-24/h1-3,5,7,10-12,14,19H,4,6,8-9,13H2,(H,31,34)(H,30,32,33)/t19-/m1/s1
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n/an/a 487n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50139151
PNG
(CHEMBL3764870)
Show SMILES Cl.Cl.OC1(CNC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H27F3N4O4.2ClH/c30-29(31,32)20-10-18(9-19(13-20)28(39)14-33-15-28)27(38)35-21-3-1-16-2-4-22(12-17(16)11-21)40-24-7-8-34-26-23(24)5-6-25(37)36-26;;/h2,4,7-10,12-13,21,33,39H,1,3,5-6,11,14-15H2,(H,35,38)(H,34,36,37);2*1H/t21-;;/m1../s1
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n/an/a 854n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139149
PNG
(CHEMBL3765012)
Show SMILES Cl.Cl.NC1(CCC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H29F3N4O3.2ClH/c31-30(32,33)21-13-19(12-20(16-21)29(34)9-1-10-29)28(39)36-22-4-2-17-3-5-23(15-18(17)14-22)40-25-8-11-35-27-24(25)6-7-26(38)37-27;;/h3,5,8,11-13,15-16,22H,1-2,4,6-7,9-10,14,34H2,(H,36,39)(H,35,37,38);2*1H/t22-;;/m1../s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139151
PNG
(CHEMBL3764870)
Show SMILES Cl.Cl.OC1(CNC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H27F3N4O4.2ClH/c30-29(31,32)20-10-18(9-19(13-20)28(39)14-33-15-28)27(38)35-21-3-1-16-2-4-22(12-17(16)11-21)40-24-7-8-34-26-23(24)5-6-25(37)36-26;;/h2,4,7-10,12-13,21,33,39H,1,3,5-6,11,14-15H2,(H,35,38)(H,34,36,37);2*1H/t21-;;/m1../s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139147
PNG
(CHEMBL3765509)
Show SMILES Cl.Cl.CCNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3.2ClH/c1-2-33-16-17-11-20(13-21(12-17)29(30,31)32)28(38)35-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-34-27-24(25)7-8-26(37)36-27;;/h4,6,9-13,15,22,33H,2-3,5,7-8,14,16H2,1H3,(H,35,38)(H,34,36,37);2*1H/t22-;;/m1../s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50339609
PNG
(3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139148
PNG
(CHEMBL3764101)
Show SMILES Cl.Cl.NCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C27H25F3N4O3.2ClH/c28-27(29,30)19-10-15(14-31)9-18(11-19)26(36)33-20-3-1-16-2-4-21(13-17(16)12-20)37-23-7-8-32-25-22(23)5-6-24(35)34-25;;/h2,4,7-11,13,20H,1,3,5-6,12,14,31H2,(H,33,36)(H,32,34,35);2*1H/t20-;;/m1../s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50339621
PNG
(3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-...)
Show SMILES CNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O3/c1-32-15-16-10-19(12-20(11-16)28(29,30)31)27(37)34-21-4-2-17-3-5-22(14-18(17)13-21)38-24-8-9-33-26-23(24)6-7-25(36)35-26/h3,5,8-12,14,21,32H,2,4,6-7,13,15H2,1H3,(H,34,37)(H,33,35,36)/t21-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139159
PNG
(CHEMBL3765596)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H22F3N3O3/c27-26(28,29)18-3-1-2-16(12-18)25(34)31-19-6-4-15-5-7-20(14-17(15)13-19)35-22-10-11-30-24-21(22)8-9-23(33)32-24/h1-3,5,7,10-12,14,19H,4,6,8-9,13H2,(H,31,34)(H,30,32,33)/t19-/m1/s1
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n/an/a>1.11E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139157
PNG
(CHEMBL3764588)
Show SMILES Cl.Cn1nccc1-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-25(8-11-35-38)19-12-20(14-21(13-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(16-18(17)15-22)41-26-9-10-34-28-24(26)6-7-27(39)37-28;/h3,5,8-14,16,22H,2,4,6-7,15H2,1H3,(H,36,40)(H,34,37,39);1H/t22-;/m1./s1
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n/an/a>1.11E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139155
PNG
(CHEMBL3765708)
Show SMILES Cl.FC(F)(F)c1cc(cc(c1)-c1cn[nH]c1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3.ClH/c30-29(31,32)21-10-17(20-14-34-35-15-20)9-19(11-21)28(39)36-22-3-1-16-2-4-23(13-18(16)12-22)40-25-7-8-33-27-24(25)5-6-26(38)37-27;/h2,4,7-11,13-15,22H,1,3,5-6,12H2,(H,34,35)(H,36,39)(H,33,37,38);1H/t22-;/m1./s1
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n/an/a>1.11E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139150
PNG
(CHEMBL3763999)
Show SMILES Cl.N[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C28H27F3N4O4.ClH/c29-28(30,31)19-10-17(23(32)14-36)9-18(11-19)27(38)34-20-3-1-15-2-4-21(13-16(15)12-20)39-24-7-8-33-26-22(24)5-6-25(37)35-26;/h2,4,7-11,13,20,23,36H,1,3,5-6,12,14,32H2,(H,34,38)(H,33,35,37);1H/t20-,23-;/m1./s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139154
PNG
(CHEMBL3765074)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cc[nH]n1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-12-18(24-7-10-34-37-24)11-19(13-20)28(39)35-21-3-1-16-2-4-22(15-17(16)14-21)40-25-8-9-33-27-23(25)5-6-26(38)36-27/h2,4,7-13,15,21H,1,3,5-6,14H2,(H,34,37)(H,35,39)(H,33,36,38)/t21-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139153
PNG
(CHEMBL3765355)
Show SMILES FC(F)(F)c1cc(cc(c1)-c1cnc[nH]1)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H24F3N5O3/c30-29(31,32)20-10-18(24-14-33-15-35-24)9-19(11-20)28(39)36-21-3-1-16-2-4-22(13-17(16)12-21)40-25-7-8-34-27-23(25)5-6-26(38)37-27/h2,4,7-11,13-15,21H,1,3,5-6,12H2,(H,33,35)(H,36,39)(H,34,37,38)/t21-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139158
PNG
(CHEMBL3763646)
Show SMILES Cl.Cn1cc(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-16-21(15-35-38)18-10-20(12-22(11-18)30(31,32)33)29(40)36-23-4-2-17-3-5-24(14-19(17)13-23)41-26-8-9-34-28-25(26)6-7-27(39)37-28;/h3,5,8-12,14-16,23H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);1H/t23-;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139152
PNG
(CHEMBL3764275)
Show SMILES OCC1COCCN1Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C32H33F3N4O5/c33-32(34,35)23-12-19(16-39-9-10-43-18-25(39)17-40)11-22(13-23)31(42)37-24-3-1-20-2-4-26(15-21(20)14-24)44-28-7-8-36-30-27(28)5-6-29(41)38-30/h2,4,7-8,11-13,15,24-25,40H,1,3,5-6,9-10,14,16-18H2,(H,37,42)(H,36,38,41)/t24-,25?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50139156
PNG
(CHEMBL3763694)
Show SMILES Cl.Cl.Cn1cnc(c1)-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C30H26F3N5O3.2ClH/c1-38-15-25(35-16-38)19-10-20(12-21(11-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(14-18(17)13-22)41-26-8-9-34-28-24(26)6-7-27(39)37-28;;/h3,5,8-12,14-16,22H,2,4,6-7,13H2,1H3,(H,36,40)(H,34,37,39);2*1H/t22-;;/m1../s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 1156-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.049
BindingDB Entry DOI: 10.7270/Q29P33HD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%