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PubMed code 26099539

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107317
PNG
(CHEMBL3601177)
Show SMILES Clc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15ClO3/c22-18-13-11-17(12-14-18)21(24)25-20(16-9-5-2-6-10-16)19(23)15-7-3-1-4-8-15/h1-14,20H
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n/an/a 7.30E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107317
PNG
(CHEMBL3601177)
Show SMILES Clc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15ClO3/c22-18-13-11-17(12-14-18)21(24)25-20(16-9-5-2-6-10-16)19(23)15-7-3-1-4-8-15/h1-14,20H
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n/an/a 7.30E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107321
PNG
(CHEMBL3601173)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15NO5/c23-19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)27-21(24)17-11-13-18(14-12-17)22(25)26/h1-14,20H
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n/an/a 8.80E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107321
PNG
(CHEMBL3601173)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15NO5/c23-19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)27-21(24)17-11-13-18(14-12-17)22(25)26/h1-14,20H
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n/an/a 8.80E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107320
PNG
(CHEMBL3601174)
Show SMILES Fc1ccccc1C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15FO3/c22-18-14-8-7-13-17(18)21(24)25-20(16-11-5-2-6-12-16)19(23)15-9-3-1-4-10-15/h1-14,20H
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n/an/a 9.10E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107320
PNG
(CHEMBL3601174)
Show SMILES Fc1ccccc1C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15FO3/c22-18-14-8-7-13-17(18)21(24)25-20(16-11-5-2-6-12-16)19(23)15-9-3-1-4-10-15/h1-14,20H
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n/an/a 9.10E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107319
PNG
(CHEMBL3601175)
Show SMILES Fc1cccc(c1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15FO3/c22-18-13-7-12-17(14-18)21(24)25-20(16-10-5-2-6-11-16)19(23)15-8-3-1-4-9-15/h1-14,20H
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n/an/a 9.70E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107319
PNG
(CHEMBL3601175)
Show SMILES Fc1cccc(c1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15FO3/c22-18-13-7-12-17(14-18)21(24)25-20(16-10-5-2-6-11-16)19(23)15-8-3-1-4-9-15/h1-14,20H
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n/an/a 9.70E+5n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM22760
PNG
(2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one | Be...)
Show SMILES COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
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n/an/a 1.17E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM22760
PNG
(2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one | Be...)
Show SMILES COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
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n/an/a 1.17E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107318
PNG
(CHEMBL3601176)
Show SMILES Fc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15FO3/c22-18-13-11-17(12-14-18)21(24)25-20(16-9-5-2-6-10-16)19(23)15-7-3-1-4-8-15/h1-14,20H
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n/an/a 1.29E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107318
PNG
(CHEMBL3601176)
Show SMILES Fc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H15FO3/c22-18-13-11-17(12-14-18)21(24)25-20(16-9-5-2-6-10-16)19(23)15-7-3-1-4-8-15/h1-14,20H
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n/an/a 1.29E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM22728
PNG
(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Show SMILES OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
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n/an/a 2.12E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM22728
PNG
(2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...)
Show SMILES OC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
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n/an/a 2.12E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107322
PNG
(CHEMBL3601172)
Show SMILES O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H16O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h1-15,20H
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n/an/a 2.66E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107322
PNG
(CHEMBL3601172)
Show SMILES O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H16O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h1-15,20H
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n/an/a 2.66E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107316
PNG
(CHEMBL3601178)
Show SMILES COc1ccc(cc1)C(OC(=O)c1ccc(F)cc1)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H19FO5/c1-27-19-11-5-15(6-12-19)21(25)22(16-7-13-20(28-2)14-8-16)29-23(26)17-3-9-18(24)10-4-17/h3-14,22H,1-2H3
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n/an/a 2.82E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50107316
PNG
(CHEMBL3601178)
Show SMILES COc1ccc(cc1)C(OC(=O)c1ccc(F)cc1)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H19FO5/c1-27-19-11-5-15(6-12-19)21(25)22(16-7-13-20(28-2)14-8-16)29-23(26)17-3-9-18(24)10-4-17/h3-14,22H,1-2H3
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n/an/a 2.82E+6n/an/an/an/an/an/a



Al-Zaytoonah University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay


Bioorg Med Chem Lett 25: 3120-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.011
BindingDB Entry DOI: 10.7270/Q2XW4MKJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%