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Compile Data Set for Download or QSAR

Found 2437 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200978
PNG
(CHEMBL3956037 | US10087187, Compound 58)
Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3
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n/an/an/a 0.400n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200972
PNG
(CHEMBL3974658 | US10087187, Compound 22)
Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(H,30,31)
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n/an/an/a 1.20n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200929
PNG
(CHEMBL3894812)
Show SMILES CS(O)(=O)=O.Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O2.CH4O3S/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27;1-5(2,3)4/h2-4,10,29H,5-9,11,24H2,1H3;1H3,(H,2,3,4)
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n/an/an/a 1.20n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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n/an/an/a 1.30n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200975
PNG
(CHEMBL3916621 | US10087187, Compound 2)
Show SMILES Cc1c(Cc2c(CNCCS(C)(=O)=O)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C23H29F3N6O3S/c1-15-16(4-3-5-17(15)23(24,25)26)12-20-19(14-28-6-11-36(2,33)34)29-22-18(27)13-21(30-32(20)22)31-7-9-35-10-8-31/h3-5,13,28H,6-12,14,27H2,1-2H3
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n/an/an/a 1.40n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200969
PNG
(CHEMBL3970860 | US10087187, Compound 9)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C21H21F3N4O3/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)25-19-15(20(29)30)11-18(26-28(17)19)27-6-8-31-9-7-27/h3-5,11H,6-10H2,1-2H3,(H,29,30)
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n/an/an/a 1.40n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 1.70n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200970
PNG
(CHEMBL3955003 | US10087187, Compound 52)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3
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n/an/an/a 1.90n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200959
PNG
(CHEMBL3903747)
Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36)
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n/an/an/a 2n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200973
PNG
(CHEMBL3897548 | US10087187, Compound 1)
Show SMILES CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C24H31F3N6O3S/c1-16-17(5-4-6-18(16)24(25,26)27)13-21-20(15-31(2)9-12-37(3,34)35)29-23-19(28)14-22(30-33(21)23)32-7-10-36-11-8-32/h4-6,14H,7-13,15,28H2,1-3H3
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n/an/an/a 2.40n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200976
PNG
(CHEMBL3946307)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27)
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n/an/an/a 2.60n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200968
PNG
(CHEMBL3983623 | US10087187, Compound 46)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30)
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n/an/an/a 3n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200974
PNG
(CHEMBL3975628 | US10087187, Compound 6)
Show SMILES Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C20H22F3N5O/c1-12-14(4-3-5-15(12)20(21,22)23)10-17-13(2)25-19-16(24)11-18(26-28(17)19)27-6-8-29-9-7-27/h3-5,11H,6-10,24H2,1-2H3
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n/an/an/a 6n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200977
PNG
(CHEMBL3986383 | US10087187, Compound 5)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C23H23F3N6O/c1-14-16(4-3-5-18(14)23(24,25)26)10-20-15(2)29-22-17(19-12-27-13-28-19)11-21(30-32(20)22)31-6-8-33-9-7-31/h3-5,11-13H,6-10H2,1-2H3,(H,27,28)
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n/an/an/a 6n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/an/a 16n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200971
PNG
(CHEMBL3941289 | US10087187, Compound 10)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(N)=O
Show InChI InChI=1S/C21H22F3N5O2/c1-12-14(4-3-5-16(12)21(22,23)24)10-17-13(2)26-20-15(19(25)30)11-18(27-29(17)20)28-6-8-31-9-7-28/h3-5,11H,6-10H2,1-2H3,(H2,25,30)
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n/an/an/a 20n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50341494
PNG
(CHEMBL1765464 | N-(5-(3-(5-Methyl-1,2,4-oxadiazol-...)
Show SMILES Cc1nc(no1)-c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16N6O3S/c1-14-24-21(25-30-14)19-12-23-20-8-7-15(13-27(19)20)16-9-17(11-22-10-16)26-31(28,29)18-5-3-2-4-6-18/h2-13,26H,1H3
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n/an/an/a 25n/an/an/an/an/a



Korea Advanced Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to PIK3CB by high-throughput binding assay


J Med Chem 54: 2455-66 (2011)


Article DOI: 10.1021/jm101582z
BindingDB Entry DOI: 10.7270/Q2ZP46F1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25084
PNG
(3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]ph...)
Show SMILES Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Show InChI InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
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n/an/an/a 80n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358796
PNG
(CHEMBL1922909)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1cnc(N)nc1
Show InChI InChI=1S/C16H15N5O2S/c1-11-2-4-15(5-3-11)24(22,23)21-14-6-12(7-18-10-14)13-8-19-16(17)20-9-13/h2-10,21H,1H3,(H2,17,19,20)
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n/an/an/a 100n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/an/a 120n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50200930
PNG
(CHEMBL3928423 | US10087187, Compound 66)
Show SMILES Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N6O3/c1-11-13(20(21,22)23)3-2-4-15(11)25-19-16(10-31)26-18-14(24)7-17(27-29(18)19)28-5-6-32-12(8-28)9-30/h2-4,7,12,25,30-31H,5-6,8-10,24H2,1H3
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n/an/an/a 138n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358794
PNG
(CHEMBL1922907)
Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C15H11F2N5O2S/c16-11-1-2-14(13(17)4-11)25(23,24)22-12-3-9(5-19-8-12)10-6-20-15(18)21-7-10/h1-8,22H,(H2,18,20,21)
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n/an/an/a 220n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358799
PNG
(CHEMBL1922912)
Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C19H15N5O2S/c20-19-22-10-16(11-23-19)15-7-17(12-21-9-15)24-27(25,26)18-6-5-13-3-1-2-4-14(13)8-18/h1-12,24H,(H2,20,22,23)
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n/an/an/a 230n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358795
PNG
(CHEMBL1922908)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cncc(c1)-c1cnc(N)nc1
Show InChI InChI=1S/C16H14N6O4S/c1-10-2-3-14(5-15(10)22(23)24)27(25,26)21-13-4-11(6-18-9-13)12-7-19-16(17)20-8-12/h2-9,21H,1H3,(H2,17,19,20)
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n/an/an/a 250n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358789
PNG
(CHEMBL1922773)
Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H13N5O2S/c16-15-18-8-12(9-19-15)11-6-13(10-17-7-11)20-23(21,22)14-4-2-1-3-5-14/h1-10,20H,(H2,16,18,19)
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n/an/an/a 360n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358793
PNG
(CHEMBL1922782)
Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C16H12F3N5O2S/c17-16(18,19)12-2-1-3-14(5-12)27(25,26)24-13-4-10(6-21-9-13)11-7-22-15(20)23-8-11/h1-9,24H,(H2,20,22,23)
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n/an/an/a 430n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358798
PNG
(CHEMBL1922911)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1cnc(N)nc1
Show InChI InChI=1S/C16H15N5O3S/c1-24-14-2-4-15(5-3-14)25(22,23)21-13-6-11(7-18-10-13)12-8-19-16(17)20-9-12/h2-10,21H,1H3,(H2,17,19,20)
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n/an/an/a 500n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358797
PNG
(CHEMBL1922910)
Show SMILES Nc1ncc(cn1)-c1cncc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H12N6O4S/c16-15-18-7-11(8-19-15)10-5-12(9-17-6-10)20-26(24,25)14-3-1-13(2-4-14)21(22)23/h1-9,20H,(H2,16,18,19)
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n/an/an/a 550n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355500
PNG
(CHEMBL1908394 | US9695172, GSK461364)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50358792
PNG
(CHEMBL1922781)
Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1cnc(N)nc1
Show InChI InChI=1S/C10H11N5O2S/c1-18(16,17)15-9-2-7(3-12-6-9)8-4-13-10(11)14-5-8/h2-6,15H,1H3,(H2,11,13,14)
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n/an/an/a 5.20E+3n/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kbeta


Bioorg Med Chem Lett 21: 6977-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.118
BindingDB Entry DOI: 10.7270/Q2NK3FFQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 6.70E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25919
PNG
(BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...)
Show SMILES Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(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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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM12621
PNG
(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of PIK3-CB in human HEK293 cells after 1 hr by competition binding assay


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to PIK3CB


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to PIK3CB


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
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