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PubMed code 21121631

Compile data set for download or QSAR
Found 28 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))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332741
PNG
((4aS,11cS)-9,10-Dihydroxy-4,4,11c-trimethyl-1,2,3,...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CCc1oc3c(C=O)c(O)c(O)cc3c21 |r|
Show InChI InChI=1S/C20H24O4/c1-19(2)7-4-8-20(3)15(19)6-5-14-16(20)11-9-13(22)17(23)12(10-21)18(11)24-14/h9-10,15,22-23H,4-8H2,1-3H3/t15-,20-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332731
PNG
((4aS,7R,12cS)-10,11-Dihydroxy-4,4,7,12c-tetramethy...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(C=O)c(O)c(O)cc21 |r|
Show InChI InChI=1S/C22H28O4/c1-12-6-7-16-21(2,3)8-5-9-22(16,4)17-13-10-15(24)18(25)14(11-23)20(13)26-19(12)17/h10-12,16,24-25H,5-9H2,1-4H3/t12-,16+,22+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 550n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332733
PNG
((4'S,6R)-6'-bromo-2,2,4',6-tetramethyl-3',4'-dihyd...)
Show SMILES C[C@H]1CCC2([C@H](C)CCCC2(C)C)c2c1oc1c(Br)c(O)c(O)cc21 |r|
Show InChI InChI=1S/C21H27BrO3/c1-11-7-9-21(12(2)6-5-8-20(21,3)4)15-13-10-14(23)17(24)16(22)19(13)25-18(11)15/h10-12,23-24H,5-9H2,1-4H3/t11-,12+,21?/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332743
PNG
((4aS,11cS)-9,10-Dihydroxy-4,4,11c-trimethyl-1,2,3,...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CCc1oc3c(C(N)=O)c(O)c(O)cc3c21 |r|
Show InChI InChI=1S/C20H25NO4/c1-19(2)7-4-8-20(3)13(19)6-5-12-15(20)10-9-11(22)16(23)14(18(21)24)17(10)25-12/h9,13,22-23H,4-8H2,1-3H3,(H2,21,24)/t13-,20-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332742
PNG
((4aS,11cS)-9-Hydroxy-10-methoxy-4,4,11c-trimethyl-...)
Show SMILES COc1cc2c3c(CC[C@H]4C(C)(C)CCC[C@]34C)oc2c(C=O)c1O |r|
Show InChI InChI=1S/C21H26O4/c1-20(2)8-5-9-21(3)16(20)7-6-14-17(21)12-10-15(24-4)18(23)13(11-22)19(12)25-14/h10-11,16,23H,5-9H2,1-4H3/t16-,21-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332731
PNG
((4aS,7R,12cS)-10,11-Dihydroxy-4,4,7,12c-tetramethy...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(C=O)c(O)c(O)cc21 |r|
Show InChI InChI=1S/C22H28O4/c1-12-6-7-16-21(2,3)8-5-9-22(16,4)17-13-10-15(24)18(25)14(11-23)20(13)26-19(12)17/h10-12,16,24-25H,5-9H2,1-4H3/t12-,16+,22+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332743
PNG
((4aS,11cS)-9,10-Dihydroxy-4,4,11c-trimethyl-1,2,3,...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CCc1oc3c(C(N)=O)c(O)c(O)cc3c21 |r|
Show InChI InChI=1S/C20H25NO4/c1-19(2)7-4-8-20(3)13(19)6-5-12-15(20)10-9-11(22)16(23)14(18(21)24)17(10)25-12/h9,13,22-23H,4-8H2,1-3H3,(H2,21,24)/t13-,20-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332739
PNG
((4aS,11cS)-6a,10-Dihydroxy-4,4,11c-trimethyl-1,3,4...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CCC1(O)OC3=CC(=O)C(=O)CC3=C21 |r,t:15,23|
Show InChI InChI=1S/C19H24O4/c1-17(2)6-4-7-18(3)15(17)5-8-19(22)16(18)11-9-12(20)13(21)10-14(11)23-19/h10,15,22H,4-9H2,1-3H3/t15-,18-,19?/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332741
PNG
((4aS,11cS)-9,10-Dihydroxy-4,4,11c-trimethyl-1,2,3,...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CCc1oc3c(C=O)c(O)c(O)cc3c21 |r|
Show InChI InChI=1S/C20H24O4/c1-19(2)7-4-8-20(3)15(19)6-5-14-16(20)11-9-13(22)17(23)12(10-21)18(11)24-14/h9-10,15,22-23H,4-8H2,1-3H3/t15-,20-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332736
PNG
((4aS,7R,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1ccc(O)cc21 |r|
Show InChI InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-12-14(22)7-8-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17+,21+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332738
PNG
((4aS,7S,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7...)
Show SMILES C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1cc(O)ccc21 |r|
Show InChI InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-8-7-14(22)12-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17-,21-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332738
PNG
((4aS,7S,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7...)
Show SMILES C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1cc(O)ccc21 |r|
Show InChI InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-8-7-14(22)12-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17-,21-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332740
PNG
((4aS,11cS)-9,10-Dimethoxy-4,4,11c-trimethyl-1,2,3,...)
Show SMILES COc1cc2c3c(CC[C@H]4C(C)(C)CCC[C@]34C)oc2c(C=O)c1OC |r|
Show InChI InChI=1S/C22H28O4/c1-21(2)9-6-10-22(3)17(21)8-7-15-18(22)13-11-16(24-4)20(25-5)14(12-23)19(13)26-15/h11-12,17H,6-10H2,1-5H3/t17-,22-/m0/s1
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n/an/a 2.64E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332732
PNG
((4aS,7R,12cS)-9-Bromo-7a,11-dihydroxy-4,4,7,12c-te...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C2=C3CC(=O)C(=O)C(Br)=C3OC12O |r,c:14,22|
Show InChI InChI=1S/C21H27BrO4/c1-11-6-7-14-19(2,3)8-5-9-20(14,4)18-12-10-13(23)16(24)15(22)17(12)26-21(11,18)25/h11,14,25H,5-10H2,1-4H3/t11-,14+,20+,21?/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332740
PNG
((4aS,11cS)-9,10-Dimethoxy-4,4,11c-trimethyl-1,2,3,...)
Show SMILES COc1cc2c3c(CC[C@H]4C(C)(C)CCC[C@]34C)oc2c(C=O)c1OC |r|
Show InChI InChI=1S/C22H28O4/c1-21(2)9-6-10-22(3)17(21)8-7-15-18(22)13-11-16(24-4)20(25-5)14(12-23)19(13)26-15/h11-12,17H,6-10H2,1-5H3/t17-,22-/m0/s1
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n/an/a 5.12E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332742
PNG
((4aS,11cS)-9-Hydroxy-10-methoxy-4,4,11c-trimethyl-...)
Show SMILES COc1cc2c3c(CC[C@H]4C(C)(C)CCC[C@]34C)oc2c(C=O)c1O |r|
Show InChI InChI=1S/C21H26O4/c1-20(2)8-5-9-21(3)16(20)7-6-14-17(21)12-10-15(24-4)18(23)13(11-22)19(12)25-14/h10-11,16,23H,5-9H2,1-4H3/t16-,21-/m0/s1
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n/an/a 5.15E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332733
PNG
((4'S,6R)-6'-bromo-2,2,4',6-tetramethyl-3',4'-dihyd...)
Show SMILES C[C@H]1CCC2([C@H](C)CCCC2(C)C)c2c1oc1c(Br)c(O)c(O)cc21 |r|
Show InChI InChI=1S/C21H27BrO3/c1-11-7-9-21(12(2)6-5-8-20(21,3)4)15-13-10-14(23)17(24)16(22)19(13)25-18(11)15/h10-12,23-24H,5-9H2,1-4H3/t11-,12+,21?/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332735
PNG
((4aS,7R,12cS)-9-Bromo-4,4,7,12c-tetramethyl-2,3,4,...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(Br)c(O)ccc21 |r|
Show InChI InChI=1S/C21H27BrO2/c1-12-6-9-15-20(2,3)10-5-11-21(15,4)16-13-7-8-14(23)17(22)19(13)24-18(12)16/h7-8,12,15,23H,5-6,9-11H2,1-4H3/t12-,15+,21+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332736
PNG
((4aS,7R,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1ccc(O)cc21 |r|
Show InChI InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-12-14(22)7-8-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17+,21+/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332739
PNG
((4aS,11cS)-6a,10-Dihydroxy-4,4,11c-trimethyl-1,3,4...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CCC1(O)OC3=CC(=O)C(=O)CC3=C21 |r,t:15,23|
Show InChI InChI=1S/C19H24O4/c1-17(2)6-4-7-18(3)15(17)5-8-19(22)16(18)11-9-12(20)13(21)10-14(11)23-19/h10,15,22H,4-9H2,1-3H3/t15-,18-,19?/m0/s1
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n/an/a 9.57E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332734
PNG
((4aS,7R,12cS)-9-Bromo-10-methoxy-4,4,7,12c-tetrame...)
Show SMILES COc1ccc2c3c(oc2c1Br)[C@H](C)CC[C@H]1C(C)(C)CCC[C@]31C |r|
Show InChI InChI=1S/C22H29BrO2/c1-13-7-10-16-21(2,3)11-6-12-22(16,4)17-14-8-9-15(24-5)18(23)20(14)25-19(13)17/h8-9,13,16H,6-7,10-12H2,1-5H3/t13-,16+,22+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332734
PNG
((4aS,7R,12cS)-9-Bromo-10-methoxy-4,4,7,12c-tetrame...)
Show SMILES COc1ccc2c3c(oc2c1Br)[C@H](C)CC[C@H]1C(C)(C)CCC[C@]31C |r|
Show InChI InChI=1S/C22H29BrO2/c1-13-7-10-16-21(2,3)11-6-12-22(16,4)17-14-8-9-15(24-5)18(23)20(14)25-19(13)17/h8-9,13,16H,6-7,10-12H2,1-5H3/t13-,16+,22+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332732
PNG
((4aS,7R,12cS)-9-Bromo-7a,11-dihydroxy-4,4,7,12c-te...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C2=C3CC(=O)C(=O)C(Br)=C3OC12O |r,c:14,22|
Show InChI InChI=1S/C21H27BrO4/c1-11-6-7-14-19(2,3)8-5-9-20(14,4)18-12-10-13(23)16(24)15(22)17(12)26-21(11,18)25/h11,14,25H,5-10H2,1-4H3/t11-,14+,20+,21?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50332737
PNG
((4aS,7R,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1cc(O)ccc21 |r|
Show InChI InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-8-7-14(22)12-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17+,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332737
PNG
((4aS,7R,12cS)-4,4,7,12c-Tetramethyl-2,3,4,4a,5,6,7...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1cc(O)ccc21 |r|
Show InChI InChI=1S/C21H28O2/c1-13-6-9-17-20(2,3)10-5-11-21(17,4)18-15-8-7-14(22)12-16(15)23-19(13)18/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t13-,17+,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332735
PNG
((4aS,7R,12cS)-9-Bromo-4,4,7,12c-tetramethyl-2,3,4,...)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(Br)c(O)ccc21 |r|
Show InChI InChI=1S/C21H27BrO2/c1-12-6-9-15-20(2,3)10-5-11-21(15,4)16-13-7-8-14(23)17(22)19(13)24-18(12)16/h7-8,12,15,23H,5-6,9-11H2,1-4H3/t12-,15+,21+/m1/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay


J Med Chem 53: 8523-33 (2010)


Article DOI: 10.1021/jm100531u
BindingDB Entry DOI: 10.7270/Q27M0860
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%