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Compile Data Set for Download or QSAR

Found 132 hits from Astellas Pharma Inc.   
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
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462596
PNG
(CHEMBL4242659)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H36N6O5S/c1-31-25-21(14-28-31)24(37-17-19-5-4-8-32(16-19)15-18-6-9-36-10-7-18)12-22(29-25)20-11-23(30-38(3,33)34)26(35-2)27-13-20/h11-14,18-19,30H,4-10,15-17H2,1-3H3/t19-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462587
PNG
(CHEMBL4250271)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C27H38N6O5S/c1-32-26-22(16-29-32)25(14-23(30-26)21-13-24(31-39(3,34)35)27(36-2)28-15-21)38-18-20-5-4-9-33(17-20)10-6-19-7-11-37-12-8-19/h13-16,19-20,31H,4-12,17-18H2,1-3H3/t20-/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 0.430n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 0.490n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 catalytic domain (850 to 1154 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50463842
PNG
(CHEMBL4246788)
Show SMILES COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2
Show InChI InChI=1/C19H24N4O2/c1-25-19-6-10-4-11(7-19)15(12(5-10)8-19)23-16-13-2-3-21-18(13)22-9-14(16)17(20)24/h2-3,9-12,15H,4-8H2,1H3,(H2,20,24)(H2,21,22,23)
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n/an/a 0.630n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469246
PNG
(CHEMBL4289707)
Show SMILES OCCN[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
Show InChI InChI=1S/C26H31F3N6O2/c27-26(28,29)37-21-4-2-1-3-17(21)13-32-24-33-14-20(12-30)23(35-24)34-15-25-9-16-7-18(10-25)22(31-5-6-36)19(8-16)11-25/h1-4,14,16,18-19,22,31,36H,5-11,13,15H2,(H2,32,33,34,35)/t16-,18-,19+,22-,25-
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n/an/a 0.700n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 0.710n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50461380
PNG
(CHEMBL4225418)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(Cc4cccnc4)CC3)n2)c2cnn(C)c2n1
Show InChI InChI=1S/C29H32N10O5S/c1-37-27-21(15-32-37)23(12-22(34-27)20-11-24(36-45(3,41)42)29(43-2)31-14-20)35-28(40)25-18-44-26(33-25)17-39-9-7-38(8-10-39)16-19-5-4-6-30-13-19/h4-6,11-15,18,36H,7-10,16-17H2,1-3H3,(H,34,35,40)
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n/an/a 0.75n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...


Bioorg Med Chem 26: 2410-2419 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462596
PNG
(CHEMBL4242659)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H36N6O5S/c1-31-25-21(14-28-31)24(37-17-19-5-4-8-32(16-19)15-18-6-9-36-10-7-18)12-22(29-25)20-11-23(30-38(3,33)34)26(35-2)27-13-20/h11-14,18-19,30H,4-10,15-17H2,1-3H3/t19-/m1/s1
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n/an/a 0.790n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462587
PNG
(CHEMBL4250271)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C27H38N6O5S/c1-32-26-22(16-29-32)25(14-23(30-26)21-13-24(31-39(3,34)35)27(36-2)28-15-21)38-18-20-5-4-9-33(17-20)10-6-19-7-11-37-12-8-19/h13-16,19-20,31H,4-12,17-18H2,1-3H3/t20-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469242
PNG
(CHEMBL4283768)
Show SMILES N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
Show InChI InChI=1S/C24H27F3N6O/c25-24(26,27)34-19-4-2-1-3-15(19)11-30-22-31-12-18(10-28)21(33-22)32-13-23-7-14-5-16(8-23)20(29)17(6-14)9-23/h1-4,12,14,16-17,20H,5-9,11,13,29H2,(H2,30,31,32,33)/t14-,16-,17+,20-,23-
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n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462594
PNG
(CHEMBL4249087)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462588
PNG
(CHEMBL4248505)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C27H36N8O4S/c1-17-22(18(2)33(3)31-17)15-35-9-7-8-19(14-35)16-39-25-11-23(30-26-21(25)13-29-34(26)4)20-10-24(32-40(6,36)37)27(38-5)28-12-20/h10-13,19,32H,7-9,14-16H2,1-6H3/t19-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462589
PNG
(CHEMBL4247328)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C25H34N6O5S/c1-25(15-35-16-25)14-31-7-5-6-17(12-31)13-36-22-9-20(28-23-19(22)11-27-30(23)2)18-8-21(29-37(4,32)33)24(34-3)26-10-18/h8-11,17,29H,5-7,12-16H2,1-4H3/t17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462588
PNG
(CHEMBL4248505)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C27H36N8O4S/c1-17-22(18(2)33(3)31-17)15-35-9-7-8-19(14-35)16-39-25-11-23(30-26-21(25)13-29-34(26)4)20-10-24(32-40(6,36)37)27(38-5)28-12-20/h10-13,19,32H,7-9,14-16H2,1-6H3/t19-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 1.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462589
PNG
(CHEMBL4247328)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C25H34N6O5S/c1-25(15-35-16-25)14-31-7-5-6-17(12-31)13-36-22-9-20(28-23-19(22)11-27-30(23)2)18-8-21(29-37(4,32)33)24(34-3)26-10-18/h8-11,17,29H,5-7,12-16H2,1-4H3/t17-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469241
PNG
(CHEMBL4289064)
Show SMILES NC(=O)CN[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
Show InChI InChI=1S/C26H30F3N7O2/c27-26(28,29)38-20-4-2-1-3-16(20)11-33-24-34-12-19(10-30)23(36-24)35-14-25-7-15-5-17(8-25)22(18(6-15)9-25)32-13-21(31)37/h1-4,12,15,17-18,22,32H,5-9,11,13-14H2,(H2,31,37)(H2,33,34,35,36)/t15-,17-,18+,22-,25-
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n/an/a 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50463839
PNG
(CHEMBL4249444)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H22N4O/c19-17(23)14-8-21-18-13(1-2-20-18)16(14)22-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50463843
PNG
(CHEMBL4247874)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(F)(C3)C2
Show InChI InChI=1/C18H21FN4O/c19-18-5-9-3-10(6-18)14(11(4-9)7-18)23-15-12-1-2-21-17(12)22-8-13(15)16(20)24/h1-2,8-11,14H,3-7H2,(H2,20,24)(H2,21,22,23)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50461379
PNG
(CHEMBL4227156)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C25H32N8O4S/c1-15-20(16(2)31(3)29-15)14-33-8-7-18(13-33)37-23-10-21(28-24-19(23)12-27-32(24)4)17-9-22(30-38(6,34)35)25(36-5)26-11-17/h9-12,18,30H,7-8,13-14H2,1-6H3/t18-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50461373
PNG
(CHEMBL4228899)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C24H30N6O6S/c1-29-22-18(13-26-29)21(36-17-4-7-30(14-17)24(31)15-5-8-35-9-6-15)11-19(27-22)16-10-20(28-37(3,32)33)23(34-2)25-12-16/h10-13,15,17,28H,4-9,14H2,1-3H3/t17-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469249
PNG
(CHEMBL4294341)
Show SMILES N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4C4CC4)ncc1C#N)(C3)C2
Show InChI InChI=1S/C26H32N6/c27-12-21-14-30-25(29-13-18-3-1-2-4-22(18)17-5-6-17)32-24(21)31-15-26-9-16-7-19(10-26)23(28)20(8-16)11-26/h1-4,14,16-17,19-20,23H,5-11,13,15,28H2,(H2,29,30,31,32)/t16-,19-,20+,23-,26-
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n/an/a 2.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462595
PNG
(CHEMBL4250966)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H34N6O6S/c1-31-25-20(13-28-31)23(11-21(29-25)19-10-22(30-39(3,34)35)26(36-2)27-12-19)38-16-18-5-4-7-32(14-18)24(33)9-17-6-8-37-15-17/h10-13,17-18,30H,4-9,14-16H2,1-3H3/t17?,18-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469260
PNG
(CHEMBL4281174)
Show SMILES OC(=O)CN[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
Show InChI InChI=1S/C26H29F3N6O3/c27-26(28,29)38-20-4-2-1-3-16(20)11-32-24-33-12-19(10-30)23(35-24)34-14-25-7-15-5-17(8-25)22(18(6-15)9-25)31-13-21(36)37/h1-4,12,15,17-18,22,31H,5-9,11,13-14H2,(H,36,37)(H2,32,33,34,35)/t15-,17-,18+,22-,25-
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462593
PNG
(CHEMBL4246031)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H34N8O4S/c1-17-20(14-32(2)30-17)15-34-8-6-7-18(13-34)16-38-24-10-22(29-25-21(24)12-28-33(25)3)19-9-23(31-39(5,35)36)26(37-4)27-11-19/h9-12,14,18,31H,6-8,13,15-16H2,1-5H3/t18-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50463841
PNG
(CHEMBL4241916)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C[C@H]2CC[C@@H]1C2
Show InChI InChI=1/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/s2
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n/an/a 3.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50461383
PNG
(CHEMBL4229164)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(CCN4CCOCC4)CC3)n2)c2cnn(C)c2n1
Show InChI InChI=1S/C29H38N10O6S/c1-36-27-21(17-31-36)23(15-22(33-27)20-14-24(35-46(3,41)42)29(43-2)30-16-20)34-28(40)25-19-45-26(32-25)18-39-8-6-37(7-9-39)4-5-38-10-12-44-13-11-38/h14-17,19,35H,4-13,18H2,1-3H3,(H,33,34,40)
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n/an/a 3.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...


Bioorg Med Chem 26: 2410-2419 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462594
PNG
(CHEMBL4249087)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 3.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 catalytic domain (850 to 1154 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469251
PNG
(CHEMBL4287302)
Show SMILES N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(Nc4cccc(Br)c4)ncc1C#N)(C3)C2
Show InChI InChI=1S/C22H25BrN6/c23-17-2-1-3-18(6-17)28-21-26-11-16(10-24)20(29-21)27-12-22-7-13-4-14(8-22)19(25)15(5-13)9-22/h1-3,6,11,13-15,19H,4-5,7-9,12,25H2,(H2,26,27,28,29)/t13-,14-,15+,19-,22-
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462590
PNG
(CHEMBL4244862)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1
Show InChI InChI=1S/C28H37N7O6S/c1-18(36)34-10-7-20(8-11-34)28(37)35-9-5-6-19(16-35)17-41-25-13-23(31-26-22(25)15-30-33(26)2)21-12-24(32-42(4,38)39)27(40-3)29-14-21/h12-15,19-20,32H,5-11,16-17H2,1-4H3/t19-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50461379
PNG
(CHEMBL4227156)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C25H32N8O4S/c1-15-20(16(2)31(3)29-15)14-33-8-7-18(13-33)37-23-10-21(28-24-19(23)12-27-32(24)4)17-9-22(30-38(6,34)35)25(36-5)26-11-17/h9-12,18,30H,7-8,13-14H2,1-6H3/t18-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...


Bioorg Med Chem 26: 2410-2419 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50461378
PNG
(CHEMBL4229226)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C25H28N6O4S/c1-30-24-20(14-27-30)23(35-19-9-10-31(16-19)15-17-7-5-4-6-8-17)12-21(28-24)18-11-22(29-36(3,32)33)25(34-2)26-13-18/h4-8,11-14,19,29H,9-10,15-16H2,1-3H3/t19-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...


Bioorg Med Chem 26: 2410-2419 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469258
PNG
(CHEMBL4294119)
Show SMILES N[C@H]1CC[C@H](CNc2nc(Nc3cccc(Br)c3)ncc2C#N)CC1
Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(8-14)24-18-23-11-13(9-20)17(25-18)22-10-12-4-6-15(21)7-5-12/h1-3,8,11-12,15H,4-7,10,21H2,(H2,22,23,24,25)/t12-,15-
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462590
PNG
(CHEMBL4244862)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1
Show InChI InChI=1S/C28H37N7O6S/c1-18(36)34-10-7-20(8-11-34)28(37)35-9-5-6-19(16-35)17-41-25-13-23(31-26-22(25)15-30-33(26)2)21-12-24(32-42(4,38)39)27(40-3)29-14-21/h12-15,19-20,32H,5-11,16-17H2,1-4H3/t19-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
PI3K p110 delta/p85 alpha


(Mus musculus (Mouse))
BDBM50462593
PNG
(CHEMBL4246031)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H34N8O4S/c1-17-20(14-32(2)30-17)15-34-8-6-7-18(13-34)16-38-24-10-22(29-25-21(24)12-28-33(25)3)19-9-23(31-39(5,35)36)26(37-4)27-11-19/h9-12,14,18,31H,6-8,13,15-16H2,1-5H3/t18-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462595
PNG
(CHEMBL4250966)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1
Show InChI InChI=1S/C26H34N6O6S/c1-31-25-20(13-28-31)23(11-21(29-25)19-10-22(30-39(3,34)35)26(36-2)27-12-19)38-16-18-5-4-7-32(14-18)24(33)9-17-6-8-37-15-17/h10-13,17-18,30H,4-9,14-16H2,1-3H3/t17?,18-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged TYK2 catalytic domain (871 to 1187 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50463838
PNG
(CHEMBL4238926)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Show InChI InChI=1/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50463842
PNG
(CHEMBL4246788)
Show SMILES COC12CC3CC(C1)C(Nc1c(cnc4[nH]ccc14)C(N)=O)C(C3)C2
Show InChI InChI=1/C19H24N4O2/c1-25-19-6-10-4-11(7-19)15(12(5-10)8-19)23-16-13-2-3-21-18(13)22-9-14(16)17(20)24/h2-3,9-12,15H,4-8H2,1H3,(H2,20,24)(H2,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus expression system using B...


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50095984
PNG
(CHEMBL3593761)
Show SMILES C[C@@H]1CCCC[C@@H]1Nc1c(cnc2[nH]ccc12)C(N)=O
Show InChI InChI=1/C15H20N4O/c1-9-4-2-3-5-12(9)19-13-10-6-7-17-15(10)18-8-11(13)14(16)20/h6-9,12H,2-5H2,1H3,(H2,16,20)(H2,17,18,19)/t9-,12+/s2
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PubMed
n/an/a 5.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem 26: 4971-4983 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469252
PNG
(CHEMBL4287122)
Show SMILES N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4C(F)(F)F)ncc1C#N)(C3)C2
Show InChI InChI=1S/C24H27F3N6/c25-24(26,27)19-4-2-1-3-15(19)11-30-22-31-12-18(10-28)21(33-22)32-13-23-7-14-5-16(8-23)20(29)17(6-14)9-23/h1-4,12,14,16-17,20H,5-9,11,13,29H2,(H2,30,31,32,33)/t14-,16-,17+,20-,23-
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n/an/a 5.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50461373
PNG
(CHEMBL4228899)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C24H30N6O6S/c1-29-22-18(13-26-29)21(36-17-4-7-30(14-17)24(31)15-5-8-35-9-6-15)11-19(27-22)16-10-20(28-37(3,32)33)23(34-2)25-12-16/h10-13,15,17,28H,4-9,14H2,1-3H3/t17-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...


Bioorg Med Chem 26: 2410-2419 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469255
PNG
(CHEMBL4286045)
Show SMILES N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4Cl)ncc1C#N)(C3)C2
Show InChI InChI=1S/C23H27ClN6/c24-19-4-2-1-3-15(19)11-27-22-28-12-18(10-25)21(30-22)29-13-23-7-14-5-16(8-23)20(26)17(6-14)9-23/h1-4,12,14,16-17,20H,5-9,11,13,26H2,(H2,27,28,29,30)/t14-,16-,17+,20-,23-
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n/an/a 5.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469253
PNG
(CHEMBL4279198)
Show SMILES CCOc1ccccc1CNc1ncc(C#N)c(NC[C@@]23C[C@H]4C[C@@H](C2)[C@H](N)[C@H](C4)C3)n1
Show InChI InChI=1S/C25H32N6O/c1-2-32-21-6-4-3-5-17(21)13-28-24-29-14-20(12-26)23(31-24)30-15-25-9-16-7-18(10-25)22(27)19(8-16)11-25/h3-6,14,16,18-19,22H,2,7-11,13,15,27H2,1H3,(H2,28,29,30,31)/t16-,18-,19+,22-,25-
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n/an/a 5.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469250
PNG
(CHEMBL4281351)
Show SMILES N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4Br)ncc1C#N)(C3)C2
Show InChI InChI=1S/C23H27BrN6/c24-19-4-2-1-3-15(19)11-27-22-28-12-18(10-25)21(30-22)29-13-23-7-14-5-16(8-23)20(26)17(6-14)9-23/h1-4,12,14,16-17,20H,5-9,11,13,26H2,(H2,27,28,29,30)/t14-,16-,17+,20-,23-
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n/an/a 5.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469246
PNG
(CHEMBL4289707)
Show SMILES OCCN[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
Show InChI InChI=1S/C26H31F3N6O2/c27-26(28,29)37-21-4-2-1-3-17(21)13-32-24-33-14-20(12-30)23(35-24)34-15-25-9-16-7-18(10-25)22(31-5-6-36)19(8-16)11-25/h1-4,14,16,18-19,22,31,36H,5-11,13,15H2,(H2,32,33,34,35)/t16-,18-,19+,22-,25-
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n/an/a 6.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells transfected with pGL3-IL2 pro 43 plasmid assessed as suppression of IL-2 production after 14 hrs by fire...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50469261
PNG
(CHEMBL4290543)
Show SMILES Cc1ccccc1CNc1ncc(C#N)c(NC[C@@]23C[C@H]4C[C@@H](C2)[C@H](N)[C@H](C4)C3)n1
Show InChI InChI=1S/C24H30N6/c1-15-4-2-3-5-17(15)12-27-23-28-13-20(11-25)22(30-23)29-14-24-8-16-6-18(9-24)21(26)19(7-16)10-24/h2-5,13,16,18-19,21H,6-10,12,14,26H2,1H3,(H2,27,28,29,30)/t16-,18-,19+,21-,24-
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n/an/a 6.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...


Bioorg Med Chem 26: 5499-5509 (2018)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50462599
PNG
(CHEMBL4245863)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)c2cccnn2)c2cnn(C)c2n1
Show InChI InChI=1S/C25H28N8O5S/c1-32-23-18(13-28-32)22(11-20(29-23)17-10-21(31-39(3,35)36)24(37-2)26-12-17)38-15-16-6-5-9-33(14-16)25(34)19-7-4-8-27-30-19/h4,7-8,10-13,16,31H,5-6,9,14-15H2,1-3H3/t16-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...


Bioorg Med Chem 26: 3917-3924 (2018)

More data for this
Ligand-Target Pair
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