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Compile Data Set for Download or QSAR

Found 24 hits from Chugai Pharmaceutical Co,. Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TAK1/TAB1


(Homo sapiens (Human))
BDBM50186972
PNG
(CHEMBL3823127)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O3S/c1-29-9-11-30(12-10-29)25(33)17-7-8-20(18(13-17)16-5-3-2-4-6-16)28-23(31)19-14-34-22-21(19)26-15-27-24(22)32/h2-8,13-15H,9-12H2,1H3,(H,28,31)(H,26,27,32)
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n/an/a 2.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187106
PNG
(CHEMBL3823992)
Show SMILES CC(F)Oc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C21H22FN5O4S/c1-12(22)31-16-9-13(21(30)27-7-5-26(2)6-8-27)3-4-15(16)25-19(28)14-10-32-18-17(14)23-11-24-20(18)29/h3-4,9-12H,5-8H2,1-2H3,(H,25,28)(H,23,24,29)
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n/an/a 3n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50186971
PNG
(CHEMBL3823882)
Show SMILES CC(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O3S/c1-13(2)15-10-14(22(30)27-8-6-26(3)7-9-27)4-5-17(15)25-20(28)16-11-31-19-18(16)23-12-24-21(19)29/h4-5,10-13H,6-9H2,1-3H3,(H,25,28)(H,23,24,29)
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n/an/a 3.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187108
PNG
(CHEMBL3822845)
Show SMILES CN(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C21H24N6O3S/c1-25(2)16-10-13(21(30)27-8-6-26(3)7-9-27)4-5-15(16)24-19(28)14-11-31-18-17(14)22-12-23-20(18)29/h4-5,10-12H,6-9H2,1-3H3,(H,24,28)(H,22,23,29)
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n/an/a 5n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187107
PNG
(CHEMBL3822712)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F6N5O4S/c1-32-4-6-33(7-5-32)19(36)11-2-3-13(14(8-11)37-20(21(23,24)25)22(26,27)28)31-17(34)12-9-38-16-15(12)29-10-30-18(16)35/h2-3,8-10,20H,4-7H2,1H3,(H,31,34)(H,29,30,35)
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n/an/a 5.20n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50186972
PNG
(CHEMBL3823127)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C25H23N5O3S/c1-29-9-11-30(12-10-29)25(33)17-7-8-20(18(13-17)16-5-3-2-4-6-16)28-23(31)19-14-34-22-21(19)26-15-27-24(22)32/h2-8,13-15H,9-12H2,1H3,(H,28,31)(H,26,27,32)
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n/an/a 5.40n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187038
PNG
(CHEMBL3823000)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C19H18ClN5O3S/c1-24-4-6-25(7-5-24)19(28)11-2-3-14(13(20)8-11)23-17(26)12-9-29-16-15(12)21-10-22-18(16)27/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,21,22,27)
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n/an/a 5.80n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187032
PNG
(CHEMBL3822889)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C25H29N5O3S/c1-29-9-11-30(12-10-29)25(33)17-7-8-20(18(13-17)16-5-3-2-4-6-16)28-23(31)19-14-34-22-21(19)26-15-27-24(22)32/h7-8,13-16H,2-6,9-12H2,1H3,(H,28,31)(H,26,27,32)
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n/an/a 6.70n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187058
PNG
(CHEMBL3823892)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(Br)c1
Show InChI InChI=1S/C19H18BrN5O3S/c1-24-4-6-25(7-5-24)19(28)11-2-3-14(13(20)8-11)23-17(26)12-9-29-16-15(12)21-10-22-18(16)27/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,21,22,27)
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n/an/a 7.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged TAK1 kinase domain (unknown origin) expressed in baculovirus expression system coexpressing TAB using biotin-la...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50042034
PNG
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length TAK1 (unknown origin) fused with TAB1 using biotin-MKK6 as substrate by AlphaScreen assay


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187109
PNG
(CHEMBL3822535)
Show SMILES CCN(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H26N6O3S/c1-4-27(3)17-11-14(22(31)28-9-7-26(2)8-10-28)5-6-16(17)25-20(29)15-12-32-19-18(15)23-13-24-21(19)30/h5-6,11-13H,4,7-10H2,1-3H3,(H,25,29)(H,23,24,30)
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n/an/a 9.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187111
PNG
(CHEMBL3823738)
Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
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n/an/a 11n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187110
PNG
(CHEMBL3823335)
Show SMILES COc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C23H28N6O4S/c1-28-8-10-29(11-9-28)7-3-6-24-21(30)15-4-5-17(18(12-15)33-2)27-22(31)16-13-34-20-19(16)25-14-26-23(20)32/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,30)(H,27,31)(H,25,26,32)
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n/an/a 13n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187070
PNG
(CHEMBL3824212)
Show SMILES COc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H21N5O4S/c1-24-5-7-25(8-6-24)20(28)12-3-4-14(15(9-12)29-2)23-18(26)13-10-30-17-16(13)21-11-22-19(17)27/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)(H,21,22,27)
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n/an/a 15n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50186814
PNG
(CHEMBL3823018)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(C)c1
Show InChI InChI=1S/C20H21N5O3S/c1-12-9-13(20(28)25-7-5-24(2)6-8-25)3-4-15(12)23-18(26)14-10-29-17-16(14)21-11-22-19(17)27/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)(H,21,22,27)
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n/an/a 41n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187113
PNG
(CHEMBL3824153)
Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2cc(NC(N)=O)c(s2)C(N)=O)CC1
Show InChI InChI=1S/C20H27N5O3S/c1-28-11-10-24-6-8-25(9-7-24)13-14-2-4-15(5-3-14)17-12-16(23-20(22)27)18(29-17)19(21)26/h2-5,12H,6-11,13H2,1H3,(H2,21,26)(H3,22,23,27)
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n/an/a 50n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187115
PNG
(CHEMBL3822835)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1Oc1ccncc1
Show InChI InChI=1S/C27H26N6O2/c1-18-14-20(8-9-23(18)35-22-10-12-29-13-11-22)30-26(34)31-25-16-24(27(2,3)4)32-33(25)21-7-5-6-19(15-21)17-28/h5-16H,1-4H3,(H2,30,31,34)
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n/an/a 156n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant TAK1 (unknown origin)


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187036
PNG
(CHEMBL3823067)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(F)c1
Show InChI InChI=1S/C19H18FN5O3S/c1-24-4-6-25(7-5-24)19(28)11-2-3-14(13(20)8-11)23-17(26)12-9-29-16-15(12)21-10-22-18(16)27/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,21,22,27)
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n/an/a 220n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187118
PNG
(CHEMBL3822673)
Show SMILES COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C23H28N6O3S/c1-28-8-10-29(11-9-28)7-3-6-25-22(30)16-4-5-18(19(12-16)32-2)27-23(31)17-14-33-20-13-24-15-26-21(17)20/h4-5,12-15H,3,6-11H2,1-2H3,(H,25,30)(H,27,31)
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n/an/a 260n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187116
PNG
(CHEMBL3822538)
Show SMILES COc1cc(ccc1NC(=O)c1csc2cncnc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H21N5O2S/c1-23-5-7-24(8-6-23)13-3-4-15(16(9-13)26-2)22-19(25)14-11-27-17-10-20-12-21-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187117
PNG
(CHEMBL3822610)
Show SMILES COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H21N5O3S/c1-24-5-7-25(8-6-24)20(27)13-3-4-15(16(9-13)28-2)23-19(26)14-11-29-17-10-21-12-22-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,23,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated ...


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50187112
PNG
(CHEMBL3823800)
Show SMILES C[C@H]1OC=C2[C@H](O)[C@H]3O[C@H]3C(=O)[C@]22C3O[C@H](C)C([C@H]12)C1=C3[C@H](O)[C@H]2O[C@H]2C1=O
Show InChI InChI=1S/C20H20O8/c1-4-7-8-9(13(23)16-15(27-16)12(8)22)19(26-4)20-6(3-25-5(2)10(7)20)11(21)14-17(28-14)18(20)24/h3-5,7,10-11,13-17,19,21,23H,1-2H3/t4-,5-,7?,10+,11+,13+,14-,15+,16-,17-,19?,20+/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TAK1 fused with TAB1 using MKK6 as substrate in presence of gamma-[33P]ATP


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50187111
PNG
(CHEMBL3823738)
Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co,. Ltd

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem 24: 4206-4217 (2016)


Article DOI: 10.1016/j.bmc.2016.07.006
BindingDB Entry DOI: 10.7270/Q2JM2CKQ
More data for this
Ligand-Target Pair