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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048234   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50360063
PNG
(CHEMBL1928561)
Show SMILES Cc1ccc(cc1S(=O)(=O)N(CCO)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O5S/c1-13-2-3-16(24(26)27)9-18(13)30(28,29)23(6-7-25)21-12-15-11-20-22-5-4-14(10-19)8-17(15)22/h2-5,8-9,11-12,25H,6-7H2,1H3/b21-12+
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n/an/a 51n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209295
PNG
(CHEMBL3884928)
Show SMILES CN(C)CCCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C22H26N8O4S/c1-26(2)9-5-10-27(3)20-7-6-19(30(31)32)13-22(20)35(33,34)28(4)24-15-18-16-25-29-11-8-17(14-23)12-21(18)29/h6-8,11-13,15-16H,5,9-10H2,1-4H3/b24-15+
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n/an/a 76n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209603
PNG
(CHEMBL3883390)
Show SMILES CN(CCn1ccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C22H21N9O4S/c1-27(9-10-29-8-6-24-16-29)20-4-3-19(31(32)33)12-22(20)36(34,35)28(2)25-14-18-15-26-30-7-5-17(13-23)11-21(18)30/h3-8,11-12,14-16H,9-10H2,1-2H3/b25-14+
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n/an/a 150n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209503
PNG
(CHEMBL3884092)
Show SMILES CN(CCc1ccncc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H22N8O4S/c1-29(11-7-18-5-9-26-10-6-18)22-4-3-21(32(33)34)14-24(22)37(35,36)30(2)27-16-20-17-28-31-12-8-19(15-25)13-23(20)31/h3-6,8-10,12-14,16-17H,7,11H2,1-2H3/b27-16+
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n/an/a 160n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209602
PNG
(CHEMBL3883515)
Show SMILES CN(CCc1cccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H22N8O4S/c1-29(10-7-18-4-3-9-26-15-18)22-6-5-21(32(33)34)13-24(22)37(35,36)30(2)27-16-20-17-28-31-11-8-19(14-25)12-23(20)31/h3-6,8-9,11-13,15-17H,7,10H2,1-2H3/b27-16+
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n/an/a 180n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209611
PNG
(CHEMBL3884950)
Show SMILES CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C23H20N8O4S/c1-16(20-14-26-30-10-8-17(13-24)11-22(20)30)27-28-36(34,35)23-12-19(31(32)33)6-7-21(23)29(2)15-18-5-3-4-9-25-18/h3-12,14,28H,15H2,1-2H3/b27-16+
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n/an/a 207n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209294
PNG
(CHEMBL3884860)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N7O6S/c1-26(24-15-18-16-25-28-5-4-17(14-23)12-20(18)28)36(32,33)22-13-19(29(30)31)2-3-21(22)35-11-8-27-6-9-34-10-7-27/h2-5,12-13,15-16H,6-11H2,1H3/b24-15+
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n/an/a 220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209605
PNG
(CHEMBL3884071)
Show SMILES CN(C)CCN(C)c1ccc(cc1C(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C22H24N8O3/c1-26(2)9-10-27(3)20-6-5-18(30(32)33)12-19(20)22(31)28(4)24-14-17-15-25-29-8-7-16(13-23)11-21(17)29/h5-8,11-12,14-15H,9-10H2,1-4H3/b24-14+
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n/an/a 230n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209612
PNG
(CHEMBL3885111)
Show SMILES CCN(CC)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C23H28N8O4S/c1-5-29(6-2)12-11-27(3)21-8-7-20(31(32)33)14-23(21)36(34,35)28(4)25-16-19-17-26-30-10-9-18(15-24)13-22(19)30/h7-10,13-14,16-17H,5-6,11-12H2,1-4H3/b25-16+
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n/an/a 330n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209575
PNG
(CHEMBL3885168)
Show SMILES CN(Cc1ccncc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C23H20N8O4S/c1-28(16-17-5-8-25-9-6-17)21-4-3-20(31(32)33)12-23(21)36(34,35)29(2)26-14-19-15-27-30-10-7-18(13-24)11-22(19)30/h3-12,14-15H,16H2,1-2H3/b26-14+
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n/an/a 390n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209499
PNG
(CHEMBL3883536)
Show SMILES CN(CCc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H22N8O4S/c1-29(11-9-20-5-3-4-10-26-20)22-7-6-21(32(33)34)14-24(22)37(35,36)30(2)27-16-19-17-28-31-12-8-18(15-25)13-23(19)31/h3-8,10,12-14,16-17H,9,11H2,1-2H3/b27-16+
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n/an/a 410n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209577
PNG
(CHEMBL3885380)
Show SMILES CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C23H20N8O4S/c1-28(16-19-5-3-4-9-25-19)21-7-6-20(31(32)33)12-23(21)36(34,35)29(2)26-14-18-15-27-30-10-8-17(13-24)11-22(18)30/h3-12,14-15H,16H2,1-2H3/b26-14+
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n/an/a 450n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209608
PNG
(CHEMBL3884691)
Show SMILES CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H28N8O5S/c1-28(7-3-8-30-10-12-37-13-11-30)22-5-4-21(32(33)34)15-24(22)38(35,36)29(2)26-17-20-18-27-31-9-6-19(16-25)14-23(20)31/h4-6,9,14-15,17-18H,3,7-8,10-13H2,1-2H3/b26-17+
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n/an/a 510n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209296
PNG
(CHEMBL3883632)
Show SMILES CN(Cc1cccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C23H20N8O4S/c1-28(16-18-4-3-8-25-13-18)21-6-5-20(31(32)33)11-23(21)36(34,35)29(2)26-14-19-15-27-30-9-7-17(12-24)10-22(19)30/h3-11,13-15H,16H2,1-2H3/b26-14+
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n/an/a 530n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209317
PNG
(CHEMBL3885320)
Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C21H24N8O4S/c1-25(2)9-10-26(3)19-6-5-18(29(30)31)12-21(19)34(32,33)27(4)23-14-17-15-24-28-8-7-16(13-22)11-20(17)28/h5-8,11-12,14-15H,9-10H2,1-4H3/b23-14+
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n/an/a 670n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209609
PNG
(CHEMBL3883989)
Show SMILES CN(CCc1c[nH]cn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C22H21N9O4S/c1-28(7-6-18-14-24-15-25-18)20-4-3-19(31(32)33)10-22(20)36(34,35)29(2)26-12-17-13-27-30-8-5-16(11-23)9-21(17)30/h3-5,8-10,12-15H,6-7H2,1-2H3,(H,24,25)/b26-12+
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n/an/a 740n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209312
PNG
(CHEMBL3885000)
Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C21H24N8O4S/c1-15(18-14-23-28-8-7-16(13-22)11-20(18)28)24-25-34(32,33)21-12-17(29(30)31)5-6-19(21)27(4)10-9-26(2)3/h5-8,11-12,14,25H,9-10H2,1-4H3/b24-15+
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n/an/a 900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209606
PNG
(CHEMBL3884711)
Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C20H24BrN7O4S/c1-14(17-13-22-27-8-7-15(21)11-19(17)27)23-24-33(31,32)20-12-16(28(29)30)5-6-18(20)26(4)10-9-25(2)3/h5-8,11-13,24H,9-10H2,1-4H3/b23-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209607
PNG
(CHEMBL3885234)
Show SMILES CN(C)CCNc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C20H22N8O4S/c1-25(2)9-7-22-18-5-4-17(28(29)30)11-20(18)33(31,32)26(3)23-13-16-14-24-27-8-6-15(12-21)10-19(16)27/h4-6,8,10-11,13-14,22H,7,9H2,1-3H3/b23-13+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209601
PNG
(CHEMBL3884798)
Show SMILES CN(CCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C23H26N8O5S/c1-27(7-8-29-9-11-36-12-10-29)21-4-3-20(31(32)33)14-23(21)37(34,35)28(2)25-16-19-17-26-30-6-5-18(15-24)13-22(19)30/h3-6,13-14,16-17H,7-12H2,1-2H3/b25-16+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209578
PNG
(CHEMBL3883482)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCCN1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C22H24N8O5S/c1-27(25-15-18-16-26-29-6-4-17(14-23)12-21(18)29)36(33,34)22-13-19(30(31)32)2-3-20(22)24-5-7-28-8-10-35-11-9-28/h2-4,6,12-13,15-16,24H,5,7-11H2,1H3/b25-15+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209572
PNG
(CHEMBL3883357)
Show SMILES CN(CCN)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C19H20N8O4S/c1-24(8-6-20)17-4-3-16(27(28)29)10-19(17)32(30,31)25(2)22-12-15-13-23-26-7-5-14(11-21)9-18(15)26/h3-5,7,9-10,12-13H,6,8,20H2,1-2H3/b22-12+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209504
PNG
(CHEMBL3884692)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCc1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C22H18N8O4S/c1-28(26-13-17-14-27-29-9-7-16(12-23)10-21(17)29)35(33,34)22-11-19(30(31)32)5-6-20(22)25-15-18-4-2-3-8-24-18/h2-11,13-14,25H,15H2,1H3/b26-13+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209502
PNG
(CHEMBL3884541)
Show SMILES CN(C)CCOc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C20H21N7O5S/c1-24(2)8-9-32-19-5-4-17(27(28)29)11-20(19)33(30,31)25(3)22-13-16-14-23-26-7-6-15(12-21)10-18(16)26/h4-7,10-11,13-14H,8-9H2,1-3H3/b22-13+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209297
PNG
(CHEMBL3884166)
Show SMILES CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N
Show InChI InChI=1S/C25H28N8O3S/c1-30(7-3-8-32-10-12-36-13-11-32)23-5-4-20(16-26)15-25(23)37(34,35)31(2)28-18-22-19-29-33-9-6-21(17-27)14-24(22)33/h4-6,9,14-15,18-19H,3,7-8,10-13H2,1-2H3/b28-18+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209576
PNG
(CHEMBL3885459)
Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C22H26N8O4S/c1-16(19-15-24-29-9-8-17(14-23)12-21(19)29)25-28(5)35(33,34)22-13-18(30(31)32)6-7-20(22)27(4)11-10-26(2)3/h6-9,12-13,15H,10-11H2,1-5H3/b25-16+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209579
PNG
(CHEMBL3885014)
Show SMILES CNCCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C20H22N8O4S/c1-22-7-9-25(2)18-5-4-17(28(29)30)11-20(18)33(31,32)26(3)23-13-16-14-24-27-8-6-15(12-21)10-19(16)27/h4-6,8,10-11,13-14,22H,7,9H2,1-3H3/b23-13+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209613
PNG
(CHEMBL3883364)
Show SMILES CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C22H20BrN7O4S/c1-27(15-18-5-3-4-9-24-18)20-7-6-19(30(31)32)12-22(20)35(33,34)28(2)25-13-16-14-26-29-10-8-17(23)11-21(16)29/h3-14H,15H2,1-2H3/b25-13+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209500
PNG
(CHEMBL3883961)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)C#N
Show InChI InChI=1S/C23H23N7O4S/c1-28(26-16-20-17-27-30-5-4-19(15-25)12-21(20)30)35(31,32)23-13-18(14-24)2-3-22(23)34-11-8-29-6-9-33-10-7-29/h2-5,12-13,16-17H,6-11H2,1H3/b26-16+
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209567
PNG
(CHEMBL3883926)
Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N
Show InChI InChI=1S/C22H24N8O2S/c1-27(2)9-10-28(3)20-6-5-17(13-23)12-22(20)33(31,32)29(4)25-15-19-16-26-30-8-7-18(14-24)11-21(19)30/h5-8,11-12,15-16H,9-10H2,1-4H3/b25-15+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209604
PNG
(CHEMBL3884306)
Show SMILES CN(\N=C\c1cnn2ccc(Br)cc12)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C21H23BrN6O6S/c1-25(23-14-16-15-24-27-5-4-17(22)12-19(16)27)35(31,32)21-13-18(28(29)30)2-3-20(21)34-11-8-26-6-9-33-10-7-26/h2-5,12-15H,6-11H2,1H3/b23-14+
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209573
PNG
(CHEMBL3885182)
Show SMILES CN(CCN1CCCCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H28N8O4S/c1-28(12-13-30-9-4-3-5-10-30)22-7-6-21(32(33)34)15-24(22)37(35,36)29(2)26-17-20-18-27-31-11-8-19(16-25)14-23(20)31/h6-8,11,14-15,17-18H,3-5,9-10,12-13H2,1-2H3/b26-17+
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209610
PNG
(CHEMBL3884910)
Show SMILES CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C22H20BrN7O4S/c1-15(19-13-25-29-10-8-16(23)11-21(19)29)26-27-35(33,34)22-12-18(30(31)32)6-7-20(22)28(2)14-17-5-3-4-9-24-17/h3-13,27H,14H2,1-2H3/b26-15+
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209574
PNG
(CHEMBL3884661)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCc1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N7O5S/c1-27(25-13-17-14-26-28-9-7-16(12-23)10-20(17)28)35(32,33)22-11-19(29(30)31)5-6-21(22)34-15-18-4-2-3-8-24-18/h2-11,13-14H,15H2,1H3/b25-13+
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50209501
PNG
(CHEMBL3884669)
Show SMILES CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C24H22N8O4S/c1-17(21-15-27-31-11-9-18(14-25)12-23(21)31)28-30(3)37(35,36)24-13-20(32(33)34)7-8-22(24)29(2)16-19-6-4-5-10-26-19/h4-13,15H,16H2,1-3H3/b28-17+
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair