BindingDB logo
myBDB logout
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



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


J Med Chem 56: 712-21 (2013)

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
Show InChI InChI=1S/C15H13F3N6O2/c1-8(25)21-11-6-24-5-9(2-3-12(24)23-11)10-4-20-13(19)14(22-10)26-7-15(16,17)18/h2-6H,7H2,1H3,(H2,19,20)(H,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a<40n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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
Show InChI InChI=1S/C16H18N6O2/c1-9(2)24-16-15(17)18-6-12(20-16)11-4-5-14-21-13(19-10(3)23)8-22(14)7-11/h4-9H,1-3H3,(H2,17,18)(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a<40n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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
Show InChI InChI=1/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
PubMed
n/an/an/an/a<40n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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
Show InChI InChI=1S/C15H16N6O2/c1-3-23-15-14(16)17-6-11(19-15)10-4-5-13-20-12(18-9(2)22)8-21(13)7-10/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a<40n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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
Show InChI InChI=1S/C15H16N6O2/c1-3-23-12-6-10(7-17-15(12)16)11-4-5-14-19-13(18-9(2)22)8-21(14)20-11/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a<40n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/an/an/a<40n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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
Show InChI InChI=1S/C14H14N6O2/c1-8(21)17-11-7-20-6-9(3-4-12(20)19-11)10-5-16-13(15)14(18-10)22-2/h3-7H,1-2H3,(H2,15,16)(H,17,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
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


Bioorg Med Chem Lett 26: 742-6 (2016)

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
Show InChI InChI=1S/C15H15N5O2/c1-9(21)18-13-8-20-7-10(3-4-14(20)19-13)11-5-12(22-2)15(16)17-6-11/h3-8H,1-2H3,(H2,16,17)(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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
Show InChI InChI=1S/C14H14N6O2/c1-8(21)17-12-7-20-13(18-12)4-3-10(19-20)9-5-11(22-2)14(15)16-6-9/h3-7H,1-2H3,(H2,15,16)(H,17,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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
Show InChI InChI=1S/C16H18N6O3/c1-10(23)19-14-9-22-15(20-14)4-3-12(21-22)11-7-13(16(17)18-8-11)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 150n/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


Bioorg Med Chem Lett 26: 742-6 (2016)

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
Show InChI InChI=1S/C16H18N6O3/c1-10(23)19-13-9-22-8-11(3-4-14(22)21-13)12-7-18-15(17)16(20-12)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
n/an/an/an/a 220n/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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
Show InChI InChI=1S/C16H17N5O2/c1-3-23-13-6-12(7-18-16(13)17)11-4-5-15-20-14(19-10(2)22)9-21(15)8-11/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
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


Bioorg Med Chem Lett 26: 742-6 (2016)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
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


ACS Med Chem Lett 2: 34-38 (2011)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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)

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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
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)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>
Jump to: