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Compile Data Set for Download or QSAR

Found 53 hits of ec50 data for polymerid = 1622   
Target
(Institution)
LigandTarget
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
PI3-kinase class I


(Homo sapiens (human))
BDBM50336882
PNG
(CHEMBL1672327 | N6-(6-(1-methylpiperidin-4-yloxy)p...)
Show SMILES CN1CCC(CC1)Oc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1
Show InChI InChI=1S/C23H29N9O2/c1-31-6-4-18(5-7-31)34-21-3-2-17(15-25-21)28-20-12-19(16-13-26-22(24)27-14-16)29-23(30-20)32-8-10-33-11-9-32/h2-3,12-15,18H,4-11H2,1H3,(H2,24,26,27)(H,28,29,30)
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50426176
PNG
(CHEMBL2316958)
Show SMILES CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
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Celgene Avilomics Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human SKOV3 cells assessed as inhibition of Akt Ser473 phosphorylation at 1 to 1000 nM after 1 hr by immunoblot analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase class I


(Homo sapiens (human))
BDBM50140267
PNG
(CHEMBL3752019)
Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(OCC(F)(F)F)n1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140266
PNG
(CHEMBL3753366)
Show SMILES CC(C)Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140265
PNG
(CHEMBL3753450)
Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3-kinase class I


(Homo sapiens (human))
BDBM50140269
PNG
(CHEMBL3752653)
Show SMILES CCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336880
PNG
(2-morpholino-N6-(quinolin-3-yl)-4,5'-bipyrimidine-...)
Show SMILES Nc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H20N8O/c22-20-24-11-15(12-25-20)18-10-19(28-21(27-18)29-5-7-30-8-6-29)26-16-9-14-3-1-2-4-17(14)23-13-16/h1-4,9-13H,5-8H2,(H2,22,24,25)(H,26,27,28)
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n/an/an/an/a 40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140272
PNG
(CHEMBL3754572)
Show SMILES CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50439721
PNG
(CHEMBL2418953)
Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6O/c1-7(24)20-11-6-23-12(21-11)3-2-10(22-23)8-4-9(14(15,16)17)13(18)19-5-8/h2-6H,1H3,(H2,18,19)(H,20,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140270
PNG
(CHEMBL3752503)
Show SMILES COc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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n/an/an/an/a 60n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50439711
PNG
(CHEMBL2418954)
Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)
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n/an/an/an/a 80n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140275
PNG
(CHEMBL3752775)
Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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n/an/an/an/a 90n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336865
PNG
(CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...)
Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1
Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)
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n/an/an/an/a 90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336875
PNG
(CHEMBL1672324 | N2'-methyl-2-morpholino-N6-(quinol...)
Show SMILES CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H22N8O/c1-23-21-25-12-16(13-26-21)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-17-10-15-4-2-3-5-18(15)24-14-17/h2-5,10-14H,6-9H2,1H3,(H,23,25,26)(H,27,28,29)
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n/an/an/an/a 110n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140273
PNG
(CHEMBL3752760)
Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
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n/an/an/an/a 110n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336881
PNG
(2-morpholino-N6-(6-phenoxypyridin-3-yl)-4,5'-bipyr...)
Show SMILES Nc1ncc(cn1)-c1cc(Nc2ccc(Oc3ccccc3)nc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C23H22N8O2/c24-22-26-13-16(14-27-22)19-12-20(30-23(29-19)31-8-10-32-11-9-31)28-17-6-7-21(25-15-17)33-18-4-2-1-3-5-18/h1-7,12-15H,8-11H2,(H2,24,26,27)(H,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336879
PNG
(2-morpholino-4,5'-bipyrimidin-2'-amine | CHEMBL167...)
Show SMILES Nc1ncc(cn1)-c1ccnc(n1)N1CCOCC1
Show InChI InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)
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n/an/an/an/a 130n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140271
PNG
(CHEMBL3751961)
Show SMILES COCCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140268
PNG
(CHEMBL3753085)
Show SMILES COCCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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n/an/an/an/a 170n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336878
PNG
(2-morpholino-N6-(tetrahydro-2H-pyran-4-yl)-4,5'-bi...)
Show SMILES Nc1ncc(cn1)-c1cc(NC2CCOCC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(H,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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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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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50140274
PNG
(CHEMBL3753665)
Show SMILES CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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n/an/an/an/a 270n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336868
PNG
(CHEMBL1672316 | N-(6-(6-aminopyridin-3-yl)-2-morph...)
Show SMILES Nc1ccc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28)
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n/an/an/an/a 310n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336866
PNG
(3-(2-morpholino-6-(quinolin-3-ylamino)pyrimidin-4-...)
Show SMILES Oc1cccc(c1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C23H21N5O2/c29-19-6-3-5-17(13-19)21-14-22(27-23(26-21)28-8-10-30-11-9-28)25-18-12-16-4-1-2-7-20(16)24-15-18/h1-7,12-15,29H,8-11H2,(H,25,26,27)
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n/an/an/an/a 370n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336871
PNG
(CHEMBL1672319 | N-(2-morpholino-6-(pyrazin-2-yl)py...)
Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cnccn1
Show InChI InChI=1S/C21H19N7O/c1-2-4-17-15(3-1)11-16(13-24-17)25-20-12-18(19-14-22-5-6-23-19)26-21(27-20)28-7-9-29-10-8-28/h1-6,11-14H,7-10H2,(H,25,26,27)
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n/an/an/an/a 390n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336873
PNG
(CHEMBL1672321 | N-(2-morpholino-4,5'-bipyrimidin-6...)
Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cncnc1
Show InChI InChI=1S/C21H19N7O/c1-2-4-18-15(3-1)9-17(13-24-18)25-20-10-19(16-11-22-14-23-12-16)26-21(27-20)28-5-7-29-8-6-28/h1-4,9-14H,5-8H2,(H,25,26,27)
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n/an/an/an/a 450n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
BDBM50336867
PNG
(CHEMBL1672315 | N-(2-morpholino-6-(pyridin-3-yl)py...)
Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cccnc1
Show InChI InChI=1S/C22H20N6O/c1-2-6-19-16(4-1)12-18(15-24-19)25-21-13-20(17-5-3-7-23-14-17)26-22(27-21)28-8-10-29-11-9-28/h1-7,12-15H,8-11H2,(H,25,26,27)
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n/an/an/an/a 650n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (human))
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 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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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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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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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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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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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


Citation and Details
More data for this
Ligand-Target Pair
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