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PubMed code 23726034

Compile data set for download or QSAR
Found 117 hits of Enzyme Inhibition Constant Data   
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 alpha isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436455
PNG
(CHEMBL2397195)
Show SMILES CC(C)c1cc(ncn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)11-7-12(20-8-19-11)14-10(3)21-16(26-14)22-17(25)23-6-4-5-13(23)15(18)24/h7-9,13H,4-6H2,1-3H3,(H2,18,24)(H,21,22,25)/t13-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a 590n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a 620n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a 770n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a 930n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50390408
PNG
(CHEMBL2071338)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436461
PNG
(CHEMBL2397190)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436452
PNG
(CHEMBL2397198)
Show SMILES CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436455
PNG
(CHEMBL2397195)
Show SMILES CC(C)c1cc(ncn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)11-7-12(20-8-19-11)14-10(3)21-16(26-14)22-17(25)23-6-4-5-13(23)15(18)24/h7-9,13H,4-6H2,1-3H3,(H2,18,24)(H,21,22,25)/t13-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436460
PNG
(CHEMBL2397191)
Show SMILES Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C17H22N6O2S/c1-9-12(10-5-7-19-14(21-10)17(2,3)4)26-15(20-9)22-16(25)23-8-6-11(23)13(18)24/h5,7,11H,6,8H2,1-4H3,(H2,18,24)(H,20,22,25)/t11-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436461
PNG
(CHEMBL2397190)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436455
PNG
(CHEMBL2397195)
Show SMILES CC(C)c1cc(ncn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)11-7-12(20-8-19-11)14-10(3)21-16(26-14)22-17(25)23-6-4-5-13(23)15(18)24/h7-9,13H,4-6H2,1-3H3,(H2,18,24)(H,21,22,25)/t13-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATR (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436461
PNG
(CHEMBL2397190)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m1/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436457
PNG
(CHEMBL2397193)
Show SMILES CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)15-19-7-6-11(21-15)13-10(3)20-16(26-13)22-17(25)23-8-4-5-12(23)14(18)24/h6-7,9,12H,4-5,8H2,1-3H3,(H2,18,24)(H,20,22,25)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436454
PNG
(CHEMBL2397196)
Show SMILES CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O2S/c1-17(2,18(19,20)21)13-8-10(5-6-23-13)12-9-24-15(29-12)25-16(28)26-7-3-4-11(26)14(22)27/h5-6,8-9,11H,3-4,7H2,1-2H3,(H2,22,27)(H,24,25,28)/t11-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436455
PNG
(CHEMBL2397195)
Show SMILES CC(C)c1cc(ncn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)11-7-12(20-8-19-11)14-10(3)21-16(26-14)22-17(25)23-6-4-5-13(23)15(18)24/h7-9,13H,4-6H2,1-3H3,(H2,18,24)(H,21,22,25)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436450
PNG
(CHEMBL2397187)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436451
PNG
(CHEMBL2397199)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-13(11-5-8-20-15(22-11)18(2)6-7-18)27-16(21-10)23-17(26)24-9-3-4-12(24)14(19)25/h5,8,12H,3-4,6-7,9H2,1-2H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436455
PNG
(CHEMBL2397195)
Show SMILES CC(C)c1cc(ncn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
Show InChI InChI=1S/C17H22N6O2S/c1-9(2)11-7-12(20-8-19-11)14-10(3)21-16(26-14)22-17(25)23-6-4-5-13(23)15(18)24/h7-9,13H,4-6H2,1-3H3,(H2,18,24)(H,21,22,25)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of p53 (unknown origin) phosphorylation at Ser15 by cell-based assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436448
PNG
(CHEMBL2397186)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436462
PNG
(CHEMBL2397189)
Show SMILES Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50436449
PNG
(CHEMBL2397188)
Show SMILES CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C20H27N5O2S/c1-12-16(13-8-9-22-15(11-13)20(2,3)4)28-18(23-12)24-19(27)25-10-6-7-14(25)17(26)21-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,26)(H,23,24,27)/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436456
PNG
(CHEMBL2397194)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1
Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ATM (unknown origin) phosphorylation at Ser1981 by cell-based assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50436461
PNG
(CHEMBL2397190)
Show SMILES Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50436453
PNG
(CHEMBL2397197)
Show SMILES CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H19ClF3N5O2S/c1-17(2,18(20,21)22)11-8-9(5-6-24-11)12-13(19)25-15(30-12)26-16(29)27-7-3-4-10(27)14(23)28/h5-6,8,10H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)/t10-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50436458
PNG
(CHEMBL2397192)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N
Show InChI InChI=1S/C19H20N6O2S/c1-11-15(12-4-7-22-14(9-12)19(10-20)5-6-19)28-17(23-11)24-18(27)25-8-2-3-13(25)16(21)26/h4,7,9,13H,2-3,5-6,8H2,1H3,(H2,21,26)(H,23,24,27)/t13-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 23: 3741-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.007
BindingDB Entry DOI: 10.7270/Q2M046VD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%