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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'ahmed' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 0.5n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 4.70n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of P110 alpha/p85alpha


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 5.70n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of P110gamma


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 8.60n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of hVPS34


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 18n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of P110delta/P85alpha


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 18n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI4K beta


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 25n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K-C2beta


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha


(Homo sapiens (Human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a 28n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3K-C2alpha


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
PI4KA/PI4KAP2


(Homo sapiens)
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI4K alpha


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50390002
PNG
(CHEMBL2071404)
Show SMILES C[C@@H]1O[C@H](CC[C@@H]1O[C@@H]1O[C@@H](C)C(=O)C=C1)O[C@@H]1[C@@H](C)O[C@H](C[C@H]1O)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O)C(=O)c2c1O
Show InChI InChI=1S/C37H42O14/c1-16-22(38)7-9-27(48-16)50-24-8-10-28(49-17(24)2)51-34-18(3)47-25(13-23(34)39)19-5-6-20-29(31(19)41)32(42)21-11-12-36(45)15-35(4,44)14-26(40)37(36,46)30(21)33(20)43/h5-7,9,11-12,16-18,23-25,27-28,34,39,41,44-46H,8,10,13-15H2,1-4H3/t16-,17-,18+,23+,24-,25+,27-,28-,34+,35-,36-,37-/m0/s1
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n/an/a 4.35E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Nat Prod 75: 1383-92 (2012)


Article DOI: 10.1021/np300316b
BindingDB Entry DOI: 10.7270/Q2QZ2C1J
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50390001
PNG
(CHEMBL2071401)
Show SMILES C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)C(=O)C=C1)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O)C(=O)c2c1O
Show InChI InChI=1S/C31H32O12/c1-13-18(32)6-7-22(42-13)43-28-14(2)41-20(10-19(28)33)15-4-5-16-23(25(15)35)26(36)17-8-9-30(39)12-29(3,38)11-21(34)31(30,40)24(17)27(16)37/h4-9,13-14,19-20,22,28,33,35,38-40H,10-12H2,1-3H3/t13-,14+,19+,20+,22-,28+,29-,30-,31-/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of iNOS


J Nat Prod 75: 1383-92 (2012)


Article DOI: 10.1021/np300316b
BindingDB Entry DOI: 10.7270/Q2QZ2C1J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341219
PNG
(1-(4-fluoro-3-methylphenyl)-9-(quinolin-3-yl)benzo...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C28H18FN3O/c1-17-12-22(8-9-24(17)29)32-27(33)11-7-20-15-31-26-10-6-18(14-23(26)28(20)32)21-13-19-4-2-3-5-25(19)30-16-21/h2-16H,1H3
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n/an/an/an/a 10n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341220
PNG
(1-(4-fluoro-3-methylphenyl)-9-(1H-pyrazol-4-yl)ben...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C22H15FN4O/c1-13-8-17(4-5-19(13)23)27-21(28)7-3-15-10-24-20-6-2-14(9-18(20)22(15)27)16-11-25-26-12-16/h2-12H,1H3,(H,25,26)
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n/an/an/an/a 10n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341221
PNG
(9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphen...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc(N)nc1
Show InChI InChI=1S/C23H16FN5O/c1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16/h2-12H,1H3,(H2,25,27,28)
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n/an/an/an/a 10n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341222
PNG
(1-(3-chloro-4-fluorophenyl)-9-(quinolin-3-yl)benzo...)
Show SMILES Fc1ccc(cc1Cl)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C27H15ClFN3O/c28-22-13-20(7-8-23(22)29)32-26(33)10-6-18-14-31-25-9-5-16(12-21(25)27(18)32)19-11-17-3-1-2-4-24(17)30-15-19/h1-15H
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n/an/an/an/a 10n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341223
PNG
(1-(4-fluoro-3-methylphenyl)-9-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(C)c4)c3c2c1
Show InChI InChI=1S/C25H18FN3O2/c1-15-11-19(6-7-21(15)26)29-24(30)10-5-18-14-27-22-8-3-16(12-20(22)25(18)29)17-4-9-23(31-2)28-13-17/h3-14H,1-2H3
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n/an/an/an/a 20n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341224
PNG
(5-(1-(4-fluoro-3-methylphenyl)-2-oxo-1,2-dihydrobe...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(nc1)C#N
Show InChI InChI=1S/C25H12F4N4O/c26-21-6-5-18(10-20(21)25(27,28)29)33-23(34)8-3-16-13-32-22-7-2-14(9-19(22)24(16)33)15-1-4-17(11-30)31-12-15/h1-10,12-13H
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n/an/an/an/a 20n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341225
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(quinolin...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C28H15F4N3O/c29-23-8-7-20(13-22(23)28(30,31)32)35-26(36)10-6-18-14-34-25-9-5-16(12-21(25)27(18)35)19-11-17-3-1-2-4-24(17)33-15-19/h1-15H
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n/an/an/an/a 25n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341226
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1H-indaz...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H14F4N4O/c27-21-5-4-18(11-20(21)26(28,29)30)34-24(35)8-3-16-12-31-23-7-2-15(10-19(23)25(16)34)14-1-6-22-17(9-14)13-32-33-22/h1-13H,(H,32,33)
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n/an/an/an/a 25n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341227
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(quinolin...)
Show SMILES Fc1ccc(c(c1)C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C28H15F4N3O/c29-20-7-9-25(22(13-20)28(30,31)32)35-26(36)10-6-18-14-34-24-8-5-16(12-21(24)27(18)35)19-11-17-3-1-2-4-23(17)33-15-19/h1-15H
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n/an/an/an/a 25n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341228
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(1H-pyraz...)
Show SMILES Fc1ccc(c(c1)C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C22H12F4N4O/c23-15-3-5-19(17(8-15)22(24,25)26)30-20(31)6-2-13-9-27-18-4-1-12(7-16(18)21(13)30)14-10-28-29-11-14/h1-11H,(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341229
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C23H14F4N4O/c1-30-12-15(11-29-30)13-2-6-20-17(8-13)22-14(10-28-20)3-7-21(32)31(22)16-4-5-19(24)18(9-16)23(25,26)27/h2-12H,1H3
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n/an/an/an/a 50n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341230
PNG
(1-(4-fluoro-3-methylphenyl)-9-(1-methyl-1H-pyrazol...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Show InChI InChI=1S/C23H17FN4O/c1-14-9-18(5-6-20(14)24)28-22(29)8-4-16-11-25-21-7-3-15(10-19(21)23(16)28)17-12-26-27(2)13-17/h3-13H,1-2H3
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n/an/an/an/a 50n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341231
PNG
(1-(3-chloro-4-fluorophenyl)-9-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(Cl)c4)c3c2c1
Show InChI InChI=1S/C22H14ClFN4O/c1-27-12-15(11-26-27)13-2-6-20-17(8-13)22-14(10-25-20)3-7-21(29)28(22)16-4-5-19(24)18(23)9-16/h2-12H,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341232
PNG
(1-(3,4-difluorophenyl)-9-(1-methyl-1H-pyrazol-4-yl...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(F)c4)c3c2c1
Show InChI InChI=1S/C22H14F2N4O/c1-27-12-15(11-26-27)13-2-6-20-17(8-13)22-14(10-25-20)3-7-21(29)28(22)16-4-5-18(23)19(24)9-16/h2-12H,1H3
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n/an/an/an/a 100n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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n/an/an/an/a 200n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR)


(Mus musculus (Mouse))
BDBM50341233
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)cc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C23H14F4N4O/c1-30-12-15(11-29-30)13-2-5-19-17(8-13)22-14(10-28-19)3-7-21(32)31(22)20-6-4-16(24)9-18(20)23(25,26)27/h2-12H,1H3
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n/an/an/an/a 250n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341210
PNG
(9-(6-aminopyridin-3-yl)-1-(4-fluoro-3-(trifluorome...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H14F4N4O/c25-19-5-4-16(10-18(19)24(26,27)28)32-22(33)8-3-15-12-30-20-6-1-13(9-17(20)23(15)32)14-2-7-21(29)31-11-14/h1-12H,(H2,29,31)
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n/an/an/an/a 250n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341215
PNG
(1-(4-fluoro-3-methylphenyl)-9-(1H-pyrrolo[2,3-b]py...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C26H17FN4O/c1-15-10-20(4-5-22(15)27)31-24(32)7-3-18-13-29-23-6-2-16(12-21(23)25(18)31)19-11-17-8-9-28-26(17)30-14-19/h2-14H,1H3,(H,28,30)
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341216
PNG
(9-(6-aminopyridin-3-yl)-1-(3-chloro-4-fluorophenyl...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(Cl)c4)c3c2c1
Show InChI InChI=1S/C23H14ClFN4O/c24-18-10-16(4-5-19(18)25)29-22(30)8-3-15-12-27-20-6-1-13(9-17(20)23(15)29)14-2-7-21(26)28-11-14/h1-12H,(H2,26,28)
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n/an/an/an/a 250n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341232
PNG
(1-(3,4-difluorophenyl)-9-(1-methyl-1H-pyrazol-4-yl...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(F)c4)c3c2c1
Show InChI InChI=1S/C22H14F2N4O/c1-27-12-15(11-26-27)13-2-6-20-17(8-13)22-14(10-25-20)3-7-21(29)28(22)16-4-5-18(23)19(24)9-16/h2-12H,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341225
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(quinolin...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C28H15F4N3O/c29-23-8-7-20(13-22(23)28(30,31)32)35-26(36)10-6-18-14-34-25-9-5-16(12-21(25)27(18)35)19-11-17-3-1-2-4-24(17)33-15-19/h1-15H
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n/an/an/an/a>1.25E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341218
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1H-pyraz...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C22H12F4N4O/c23-18-4-3-15(8-17(18)22(24,25)26)30-20(31)6-2-13-9-27-19-5-1-12(7-16(19)21(13)30)14-10-28-29-11-14/h1-11H,(H,28,29)
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n/an/an/an/a>1.25E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341220
PNG
(1-(4-fluoro-3-methylphenyl)-9-(1H-pyrazol-4-yl)ben...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C22H15FN4O/c1-13-8-17(4-5-19(13)23)27-21(28)7-3-15-10-24-20-6-2-14(9-18(20)22(15)27)16-11-25-26-12-16/h2-12H,1H3,(H,25,26)
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n/an/an/an/a>1.25E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341224
PNG
(5-(1-(4-fluoro-3-methylphenyl)-2-oxo-1,2-dihydrobe...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(nc1)C#N
Show InChI InChI=1S/C25H12F4N4O/c26-21-6-5-18(10-20(21)25(27,28)29)33-23(34)8-3-16-13-32-22-7-2-14(9-19(22)24(16)33)15-1-4-17(11-30)31-12-15/h1-10,12-13H
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341221
PNG
(9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphen...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc(N)nc1
Show InChI InChI=1S/C23H16FN5O/c1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16/h2-12H,1H3,(H2,25,27,28)
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341227
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(quinolin...)
Show SMILES Fc1ccc(c(c1)C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C28H15F4N3O/c29-20-7-9-25(22(13-20)28(30,31)32)35-26(36)10-6-18-14-34-24-8-5-16(12-21(24)27(18)35)19-11-17-3-1-2-4-23(17)33-15-19/h1-15H
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n/an/an/an/a>1.25E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341233
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)cc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C23H14F4N4O/c1-30-12-15(11-29-30)13-2-5-19-17(8-13)22-14(10-28-19)3-7-21(32)31(22)20-6-4-16(24)9-18(20)23(25,26)27/h2-12H,1H3
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n/an/an/an/a 1.25E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341228
PNG
(1-(4-fluoro-2-(trifluoromethyl)phenyl)-9-(1H-pyraz...)
Show SMILES Fc1ccc(c(c1)C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
Show InChI InChI=1S/C22H12F4N4O/c23-15-3-5-19(17(8-15)22(24,25)26)30-20(31)6-2-13-9-27-18-4-1-12(7-16(18)21(13)30)14-10-28-29-11-14/h1-11H,(H,28,29)
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n/an/an/an/a 1.25E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50328584
PNG
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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n/an/an/an/a 1.80E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341226
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1H-indaz...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H14F4N4O/c27-21-5-4-18(11-20(21)26(28,29)30)34-24(35)8-3-16-12-31-23-7-2-15(10-19(23)25(16)34)14-1-6-22-17(9-14)13-32-33-22/h1-13H,(H,32,33)
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n/an/an/an/a 500n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341222
PNG
(1-(3-chloro-4-fluorophenyl)-9-(quinolin-3-yl)benzo...)
Show SMILES Fc1ccc(cc1Cl)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C27H15ClFN3O/c28-22-13-20(7-8-23(22)29)32-26(33)10-6-18-14-31-25-9-5-16(12-21(25)27(18)32)19-11-17-3-1-2-4-24(17)30-15-19/h1-15H
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n/an/an/an/a 500n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341213
PNG
(1-(3-chloro-4-fluorophenyl)-9-(1H-pyrrolo[2,3-b]py...)
Show SMILES Fc1ccc(cc1Cl)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C25H14ClFN4O/c26-20-11-18(3-4-21(20)27)31-23(32)6-2-16-12-29-22-5-1-14(10-19(22)24(16)31)17-9-15-7-8-28-25(15)30-13-17/h1-13H,(H,28,30)
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n/an/an/an/a 750n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341217
PNG
(1-(3,4-difluorophenyl)-9-(quinolin-3-yl)benzo[h][1...)
Show SMILES Fc1ccc(cc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C27H15F2N3O/c28-22-8-7-20(13-23(22)29)32-26(33)10-6-18-14-31-25-9-5-16(12-21(25)27(18)32)19-11-17-3-1-2-4-24(17)30-15-19/h1-15H
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n/an/an/an/a 750n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341229
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1-methyl...)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C23H14F4N4O/c1-30-12-15(11-29-30)13-2-6-20-17(8-13)22-14(10-28-20)3-7-21(32)31(22)16-4-5-19(24)18(9-16)23(25,26)27/h2-12H,1H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341230
PNG
(1-(4-fluoro-3-methylphenyl)-9-(1-methyl-1H-pyrazol...)
Show SMILES Cc1cc(ccc1F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
Show InChI InChI=1S/C23H17FN4O/c1-14-9-18(5-6-20(14)24)28-22(29)8-4-16-11-25-21-7-3-15(10-19(21)23(16)28)17-12-26-27(2)13-17/h3-13H,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341223
PNG
(1-(4-fluoro-3-methylphenyl)-9-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(C)c4)c3c2c1
Show InChI InChI=1S/C25H18FN3O2/c1-15-11-19(6-7-21(15)26)29-24(30)10-5-18-14-27-22-8-3-16(12-20(22)25(18)29)17-4-9-23(31-2)28-13-17/h3-14H,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341211
PNG
(9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-(trifluoro...)
Show SMILES Nc1ncc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C23H13F4N5O/c24-18-4-3-15(8-17(18)23(25,26)27)32-20(33)6-2-13-9-29-19-5-1-12(7-16(19)21(13)32)14-10-30-22(28)31-11-14/h1-11H,(H2,28,30,31)
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n/an/an/an/a 500n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341212
PNG
(1-(4-fluoro-3-(trifluoromethyl)phenyl)-9-(1H-pyrro...)
Show SMILES Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C26H14F4N4O/c27-21-4-3-18(11-20(21)26(28,29)30)34-23(35)6-2-16-12-32-22-5-1-14(10-19(22)24(16)34)17-9-15-7-8-31-25(15)33-13-17/h1-13H,(H,31,33)
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n/an/an/an/a 750n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50341214
PNG
(9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophen...)
Show SMILES Nc1ncc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(Cl)c4)c3c2c1
Show InChI InChI=1S/C22H13ClFN5O/c23-17-8-15(3-4-18(17)24)29-20(30)6-2-13-9-26-19-5-1-12(7-16(19)21(13)29)14-10-27-22(25)28-11-14/h1-11H,(H2,25,27,28)
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n/an/an/an/a 750n/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting


J Med Chem 54: 1473-80 (2011)


Article DOI: 10.1021/jm101520v
BindingDB Entry DOI: 10.7270/Q2S46S8H
More data for this
Ligand-Target Pair
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