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Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'hamajima' and Initial = 't'   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora B ATP binding site by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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1.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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4.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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490n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora A ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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492n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
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
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50316497
PNG
(CHEMBL1097106 | N-{4-[1-(2,3-Dihydroxypropyl)-4-(1...)
Show SMILES OCC(O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
Show InChI InChI=1/C26H24N6O3/c33-16-20(34)14-32-15-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-8-19(9-7-17)30-26(35)29-18-4-2-1-3-5-18/h1-13,15,20,33-34H,14,16H2,(H,27,28)(H2,29,30,35)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50241089
PNG
(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
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n/an/a<1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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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 human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-3-1-2-8(6-9)4-5-10-7-11(16)12(17)15-14-10/h1-3,6-7H,4-5H2,(H,14,16)(H,15,17)
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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 human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50316473
PNG
(4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
Show InChI InChI=1S/C32H35N7O/c1-3-33-32(40)35-25-12-10-23(11-13-25)30-28(21-39(4-2)37-30)26-14-15-34-31-27(26)19-29(36-31)24-9-7-8-22(18-24)20-38-16-5-6-17-38/h7-15,18-19,21H,3-6,16-17,20H2,1-2H3,(H,34,36)(H2,33,35,40)
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
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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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
Aurora kinase B


(Homo sapiens (Human))
BDBM50316475
PNG
(CHEMBL1097191 | N-Ethyl-N'-[4-(1-ethyl-4-{2-[4-(1-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C32H35N7O/c1-3-33-32(40)35-25-13-11-24(12-14-25)30-28(21-39(4-2)37-30)26-15-16-34-31-27(26)19-29(36-31)23-9-7-22(8-10-23)20-38-17-5-6-18-38/h7-16,19,21H,3-6,17-18,20H2,1-2H3,(H,34,36)(H2,33,35,40)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
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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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))
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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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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431083
PNG
(CHEMBL2338803 | US10202399, Example 24 | US1046366...)
Show SMILES Oc1cc(CCc2cc(F)cc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H10F2N2O2/c13-8-3-7(4-9(14)5-8)1-2-10-6-11(17)12(18)16-15-10/h3-6H,1-2H2,(H,15,17)(H,16,18)
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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 human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50316471
PNG
(4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C30H33N7O/c1-5-31-30(38)33-23-13-11-22(12-14-23)28-26(19-37(6-2)35-28)24-15-16-32-29-25(24)17-27(34-29)21-9-7-20(8-10-21)18-36(3)4/h7-17,19H,5-6,18H2,1-4H3,(H,32,34)(H2,31,33,38)
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n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
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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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
D-amino-acid oxidase


(Mus musculus)
BDBM50431074
PNG
(CHEMBL2338790 | US10463663, Example 27 | US9212147...)
Show SMILES Oc1cc(CCc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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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 mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-3-1-2-8(6-9)4-5-10-7-11(16)12(17)15-14-10/h1-3,6-7H,4-5H2,(H,14,16)(H,15,17)
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50316492
PNG
(1-(4-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C25H22N6O/c1-2-31-16-22(20-12-14-26-24-21(20)13-15-27-24)23(30-31)17-8-10-19(11-9-17)29-25(32)28-18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,26,27)(H2,28,29,32)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50316498
PNG
(CHEMBL1097454 | N-{4-[1-(3-Hydroxypropyl)-4-(1H-py...)
Show SMILES OCCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C26H24N6O2/c33-16-4-15-32-17-23(21-11-13-27-25-22(21)12-14-28-25)24(31-32)18-7-9-20(10-8-18)30-26(34)29-19-5-2-1-3-6-19/h1-3,5-14,17,33H,4,15-16H2,(H,27,28)(H2,29,30,34)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431069
PNG
(CHEMBL2338795 | US10202399, Example 27 | US1046366...)
Show SMILES Oc1cc(CCc2ccccc2F)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-10-4-2-1-3-8(10)5-6-9-7-11(16)12(17)15-14-9/h1-4,7H,5-6H2,(H,14,16)(H,15,17)
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50272893
PNG
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)
Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33)
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n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 4610-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50316474
PNG
(4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1
Show InChI InChI=1S/C32H35N7O/c1-4-39-21-28(30(36-39)23-10-12-25(13-11-23)34-32(40)37(2)3)26-14-15-33-31-27(26)19-29(35-31)24-9-7-8-22(18-24)20-38-16-5-6-17-38/h7-15,18-19,21H,4-6,16-17,20H2,1-3H3,(H,33,35)(H,34,40)
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n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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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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
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM50431066
PNG
(CHEMBL2338798 | US10202399, Example 17 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)9-3-1-2-8(6-9)4-5-10-7-11(19)12(20)18-17-10/h1-3,6-7H,4-5H2,(H,17,19)(H,18,20)
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM50431086
PNG
(CHEMBL2338800 | US10202399, Example 212 | US104636...)
Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431070
PNG
(CHEMBL2338794)
Show SMILES Oc1cc(COc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C11H10N2O3/c14-10-6-8(12-13-11(10)15)7-16-9-4-2-1-3-5-9/h1-6H,7H2,(H,12,14)(H,13,15)
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50431066
PNG
(CHEMBL2338798 | US10202399, Example 17 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)9-3-1-2-8(6-9)4-5-10-7-11(19)12(20)18-17-10/h1-3,6-7H,4-5H2,(H,17,19)(H,18,20)
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n/an/a 2.30n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431066
PNG
(CHEMBL2338798 | US10202399, Example 17 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(c2)C(F)(F)F)n[nH]c1=O
Show InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)9-3-1-2-8(6-9)4-5-10-7-11(19)12(20)18-17-10/h1-3,6-7H,4-5H2,(H,17,19)(H,18,20)
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n/an/a 2.40n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431078
PNG
(CHEMBL2338786 | US10463663, Example 1 | US9290456,...)
Show SMILES Oc1cc(CCc2ccccc2)n[nH]c1=O
Show InChI InChI=1S/C12H12N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16)
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n/an/a 2.40n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM50431074
PNG
(CHEMBL2338790 | US10463663, Example 27 | US9212147...)
Show SMILES Oc1cc(CCc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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n/an/a 2.40n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50272853
PNG
(1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...)
Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C26H21F3N6O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36)
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of B-Raf by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 4610-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.019
BindingDB Entry DOI: 10.7270/Q21N821S
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50431086
PNG
(CHEMBL2338800 | US10202399, Example 212 | US104636...)
Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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n/an/a 2.5n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM50431067
PNG
(CHEMBL2338797 | US10202399, Example 18 | US1046366...)
Show SMILES Oc1cc(CCc2cccc(F)c2)n[nH]c1=O
Show InChI InChI=1S/C12H11FN2O2/c13-9-3-1-2-8(6-9)4-5-10-7-11(16)12(17)15-14-10/h1-3,6-7H,4-5H2,(H,14,16)(H,15,17)
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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 rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431074
PNG
(CHEMBL2338790 | US10463663, Example 27 | US9212147...)
Show SMILES Oc1cc(CCc2ccc(Cl)cc2)n[nH]c1=O
Show InChI InChI=1S/C12H11ClN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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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 human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50431077
PNG
(CHEMBL2338787 | US10202399, Example 48 | US1046366...)
Show SMILES CC(c1ccccc1)c1cc(O)c(=O)[nH]n1
Show InChI InChI=1/C12H12N2O2/c1-8(9-5-3-2-4-6-9)10-7-11(15)12(16)14-13-10/h2-8H,1H3,(H,13,15)(H,14,16)
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n/an/a 2.80n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431084
PNG
(CHEMBL2338802 | US10202399, Example 14)
Show SMILES COc1ccc(CCc2cc(O)c(=O)[nH]n2)cc1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(16)13(17)15-14-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)(H,15,17)
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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 human recombinant DAAO after 30 mins by plate reader analysis


J Med Chem 56: 3582-92 (2013)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
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