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Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'fujimoto' and Initial = 'j'   
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
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50245999
PNG
(CHEMBL4084502)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241875
PNG
(CHEMBL4091527)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cn[nH]c1
Show InChI InChI=1S/C22H23N5O2/c28-22(6-3-18-13-23-8-7-21(18)19-14-24-25-15-19)26-20-4-1-17(2-5-20)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,24,25)(H,26,28)/b6-3+
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50245999
PNG
(CHEMBL4084502)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50245998
PNG
(CHEMBL4064555)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50245998
PNG
(CHEMBL4064555)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241879
PNG
(CHEMBL4082587)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C26H25N5O2/c32-26(30-22-5-1-19(2-6-22)17-31-11-13-33-14-12-31)8-4-21-16-27-10-9-23(21)20-3-7-24-25(15-20)29-18-28-24/h1-10,15-16,18H,11-14,17H2,(H,28,29)(H,30,32)/b8-4+
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241892
PNG
(CHEMBL4072106)
Show SMILES Cn1cnc2ccc(cc12)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H27N5O2/c1-31-19-29-25-8-4-21(16-26(25)31)24-10-11-28-17-22(24)5-9-27(33)30-23-6-2-20(3-7-23)18-32-12-14-34-15-13-32/h2-11,16-17,19H,12-15,18H2,1H3,(H,30,33)/b9-5+
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241862
PNG
(CHEMBL4059523)
Show SMILES FC1(F)CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)cc2)C1
Show InChI InChI=1S/C24H23F2N5O/c25-24(26)15-30(16-24)13-17-1-4-20(5-2-17)29-23(32)8-3-18-11-27-10-9-22(18)19-12-28-31(14-19)21-6-7-21/h1-5,8-12,14,21H,6-7,13,15-16H2,(H,29,32)/b8-3+
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241864
PNG
(CHEMBL4069244)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc2CCN(CC(F)(F)F)Cc2c1
Show InChI InChI=1S/C23H22F3N5O/c1-30-13-19(12-28-30)21-6-8-27-11-17(21)3-5-22(32)29-20-4-2-16-7-9-31(14-18(16)10-20)15-23(24,25)26/h2-6,8,10-13H,7,9,14-15H2,1H3,(H,29,32)/b5-3+
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n/an/a 3.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246049
PNG
(CHEMBL4102458)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246049
PNG
(CHEMBL4102458)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246023
PNG
(CHEMBL4060775)
Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241882
PNG
(CHEMBL4101552)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C29H29N5O2/c35-29(32-27-9-6-24(7-10-27)20-33-14-16-36-17-15-33)11-8-25-18-30-13-12-28(25)26-19-31-34(22-26)21-23-4-2-1-3-5-23/h1-13,18-19,22H,14-17,20-21H2,(H,32,35)/b11-8+
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n/an/a 4.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241863
PNG
(CHEMBL4060561)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc2CN(CC(F)(F)F)CCc2c1
Show InChI InChI=1S/C23H22F3N5O/c1-30-13-19(12-28-30)21-6-8-27-11-17(21)3-5-22(32)29-20-4-2-18-14-31(15-23(24,25)26)9-7-16(18)10-20/h2-6,8,10-13H,7,9,14-15H2,1H3,(H,29,32)/b5-3+
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n/an/a 4.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241896
PNG
(CHEMBL4081088)
Show SMILES Cn1cc(cn1)-c1c(F)cncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H24FN5O2/c1-28-16-19(13-26-28)23-18(12-25-14-21(23)24)4-7-22(30)27-20-5-2-17(3-6-20)15-29-8-10-31-11-9-29/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,30)/b7-4+
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n/an/a 5.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246000
PNG
(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246000
PNG
(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241890
PNG
(CHEMBL4098004)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCC(F)(F)C2)cc1
Show InChI InChI=1S/C23H23F2N5O/c1-29-15-19(13-27-29)21-8-10-26-12-18(21)4-7-22(31)28-20-5-2-17(3-6-20)14-30-11-9-23(24,25)16-30/h2-8,10,12-13,15H,9,11,14,16H2,1H3,(H,28,31)/b7-4+
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n/an/a 6.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241858
PNG
(CHEMBL4070459)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2C3CCC2COC3)cc1
Show InChI InChI=1S/C25H27N5O2/c1-29-15-20(13-27-29)24-10-11-26-12-19(24)4-9-25(31)28-21-5-2-18(3-6-21)14-30-22-7-8-23(30)17-32-16-22/h2-6,9-13,15,22-23H,7-8,14,16-17H2,1H3,(H,28,31)/b9-4+
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n/an/a 6.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241881
PNG
(CHEMBL4063489)
Show SMILES FC(F)n1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H23F2N5O2/c24-23(25)30-16-19(14-27-30)21-7-8-26-13-18(21)3-6-22(31)28-20-4-1-17(2-5-20)15-29-9-11-32-12-10-29/h1-8,13-14,16,23H,9-12,15H2,(H,28,31)/b6-3+
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n/an/a 6.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241868
PNG
(CHEMBL4092865)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
Show InChI InChI=1S/C25H27N5O2/c31-25(28-22-4-1-19(2-5-22)17-29-11-13-32-14-12-29)8-3-20-15-26-10-9-24(20)21-16-27-30(18-21)23-6-7-23/h1-5,8-10,15-16,18,23H,6-7,11-14,17H2,(H,28,31)/b8-3+
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n/an/a 6.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241885
PNG
(CHEMBL4060759)
Show SMILES Fc1cncc(\C=C\C(=O)Nc2ccc(CN3CCOCC3)cc2)c1-c1cnn(c1)C1CC1
Show InChI InChI=1S/C25H26FN5O2/c26-23-15-27-13-19(25(23)20-14-28-31(17-20)22-6-7-22)3-8-24(32)29-21-4-1-18(2-5-21)16-30-9-11-33-12-10-30/h1-5,8,13-15,17,22H,6-7,9-12,16H2,(H,29,32)/b8-3+
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n/an/a 6.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241866
PNG
(CHEMBL4063709)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H25N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,26,29)/b7-4+
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n/an/a 6.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241860
PNG
(CHEMBL4079977)
Show SMILES O=C(Nc1ccc(CN2CC3CC(C2)O3)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
Show InChI InChI=1S/C26H27N5O2/c32-26(29-21-4-1-18(2-5-21)14-30-16-23-11-24(17-30)33-23)8-3-19-12-27-10-9-25(19)20-13-28-31(15-20)22-6-7-22/h1-5,8-10,12-13,15,22-24H,6-7,11,14,16-17H2,(H,29,32)/b8-3+
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241857
PNG
(CHEMBL4091382)
Show SMILES CC1CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(C)c3)cc2)CCO1
Show InChI InChI=1S/C24H27N5O2/c1-18-15-29(11-12-31-18)16-19-3-6-22(7-4-19)27-24(30)8-5-20-13-25-10-9-23(20)21-14-26-28(2)17-21/h3-10,13-14,17-18H,11-12,15-16H2,1-2H3,(H,27,30)/b8-5+
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241891
PNG
(CHEMBL4082444)
Show SMILES FC(F)(F)CN1CCc2cc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)ccc2C1
Show InChI InChI=1S/C25H24F3N5O/c26-25(27,28)16-32-10-8-17-11-21(3-1-19(17)14-32)31-24(34)6-2-18-12-29-9-7-23(18)20-13-30-33(15-20)22-4-5-22/h1-3,6-7,9,11-13,15,22H,4-5,8,10,14,16H2,(H,31,34)/b6-2+
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50241868
PNG
(CHEMBL4092865)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
Show InChI InChI=1S/C25H27N5O2/c31-25(28-22-4-1-19(2-5-22)17-29-11-13-32-14-12-29)8-3-20-15-26-10-9-24(20)21-16-27-30(18-21)23-6-7-23/h1-5,8-10,15-16,18,23H,6-7,11-14,17H2,(H,28,31)/b8-3+
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n/an/a 7.60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to GST-tagged CDK19/CycC (unknown origin) after 60 min by TR-FRET assay


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241871
PNG
(CHEMBL4087219)
Show SMILES COc1ncc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H24N4O3S/c1-29-23-25-15-21(31-23)20-8-9-24-14-18(20)4-7-22(28)26-19-5-2-17(3-6-19)16-27-10-12-30-13-11-27/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)/b7-4+
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n/an/a 8.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241874
PNG
(CHEMBL4079336)
Show SMILES NC(=O)c1ccc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H24N4O3S/c25-24(30)22-7-6-21(32-22)20-9-10-26-15-18(20)3-8-23(29)27-19-4-1-17(2-5-19)16-28-11-13-31-14-12-28/h1-10,15H,11-14,16H2,(H2,25,30)(H,27,29)/b8-3+
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n/an/a 8.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024849
PNG
(CHEMBL3337825)
Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30)
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n/an/a 8.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246023
PNG
(CHEMBL4060775)
Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3
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n/an/a 8.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246000
PNG
(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246000
PNG
(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241859
PNG
(CHEMBL4063908)
Show SMILES O=C(Nc1ccc(CN2CC3CC2CO3)cc1)\C=C\c1cnccc1-c1cnn(c1)C1CC1
Show InChI InChI=1S/C26H27N5O2/c32-26(29-21-4-1-18(2-5-21)14-30-16-24-11-23(30)17-33-24)8-3-19-12-27-10-9-25(19)20-13-28-31(15-20)22-6-7-22/h1-5,8-10,12-13,15,22-24H,6-7,11,14,16-17H2,(H,29,32)/b8-3+
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n/an/a 9.60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024859
PNG
(CHEMBL3337831)
Show SMILES Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N3O2/c1-13-20(15-5-8-18-17(11-15)26-19(29)12-30-18)21(14-3-6-16(23)7-4-14)28(27-13)10-9-22(2,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241861
PNG
(CHEMBL4087859)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CC(F)(F)C2)cc1
Show InChI InChI=1S/C22H21F2N5O/c1-28-13-18(11-26-28)20-8-9-25-10-17(20)4-7-21(30)27-19-5-2-16(3-6-19)12-29-14-22(23,24)15-29/h2-11,13H,12,14-15H2,1H3,(H,27,30)/b7-4+
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246076
PNG
(CHEMBL4063561)
Show SMILES Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246045
PNG
(CHEMBL4090490)
Show SMILES COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50241866
PNG
(CHEMBL4063709)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H25N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,26,29)/b7-4+
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to GST-tagged CDK19/CycC (unknown origin) after 60 min by TR-FRET assay


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241900
PNG
(CHEMBL4066959)
Show SMILES Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CC3CC2CO3)cc1
Show InChI InChI=1S/C24H25N5O2/c1-28-14-19(12-26-28)23-8-9-25-11-18(23)4-7-24(30)27-20-5-2-17(3-6-20)13-29-15-22-10-21(29)16-31-22/h2-9,11-12,14,21-22H,10,13,15-16H2,1H3,(H,27,30)/b7-4+
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024859
PNG
(CHEMBL3337831)
Show SMILES Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N3O2/c1-13-20(15-5-8-18-17(11-15)26-19(29)12-30-18)21(14-3-6-16(23)7-4-14)28(27-13)10-9-22(2,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,26,29)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50246045
PNG
(CHEMBL4090490)
Show SMILES COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241897
PNG
(CHEMBL4061835)
Show SMILES CC1COCCN1Cc1ccc(NC(=O)\C=C\c2cnccc2-c2cnn(C)c2)cc1
Show InChI InChI=1S/C24H27N5O2/c1-18-17-31-12-11-29(18)15-19-3-6-22(7-4-19)27-24(30)8-5-20-13-25-10-9-23(20)21-14-26-28(2)16-21/h3-10,13-14,16,18H,11-12,15,17H2,1-2H3,(H,27,30)/b8-5+
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024847
PNG
(CHEMBL3337823)
Show SMILES CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H22FN3O2/c1-3-4-11-26-22(15-5-8-17(23)9-6-15)21(14(2)25-26)16-7-10-19-18(12-16)24-20(27)13-28-19/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27)
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Rattus norvegicus)
BDBM50246007
PNG
(CHEMBL4104260)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...


J Med Chem 60: 8963-8981 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01210
BindingDB Entry DOI: 10.7270/Q23N25S7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241870
PNG
(CHEMBL4094902)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnsc1
Show InChI InChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-21(18)19-14-24-29-16-19)25-20-4-1-17(2-5-20)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+
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n/an/a 27n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241899
PNG
(CHEMBL4085116)
Show SMILES FC(F)(F)Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H24F3N5O2/c25-24(26,27)17-32-16-20(14-29-32)22-7-8-28-13-19(22)3-6-23(33)30-21-4-1-18(2-5-21)15-31-9-11-34-12-10-31/h1-8,13-14,16H,9-12,15,17H2,(H,30,33)/b6-3+
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n/an/a 28n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241872
PNG
(CHEMBL4097361)
Show SMILES COc1ccc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+
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n/an/a 28n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241869
PNG
(CHEMBL4093832)
Show SMILES O=C(CCc1cnccc1-c1cnn(c1)C1CC1)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C25H29N5O2/c31-25(28-22-4-1-19(2-5-22)17-29-11-13-32-14-12-29)8-3-20-15-26-10-9-24(20)21-16-27-30(18-21)23-6-7-23/h1-2,4-5,9-10,15-16,18,23H,3,6-8,11-14,17H2,(H,28,31)
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n/an/a 29n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50024849
PNG
(CHEMBL3337825)
Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30)
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n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
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