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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50045491   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064769
PNG
(CHEMBL3401255)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064788
PNG
(CHEMBL3401249)
Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 31n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064771
PNG
(CHEMBL3401253)
Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 92n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064860
PNG
(CHEMBL3403813)
Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 118n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064855
PNG
(CHEMBL3401248)
Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 127n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064856
PNG
(CHEMBL3401245)
Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 181n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064769
PNG
(CHEMBL3401255)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 184n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064788
PNG
(CHEMBL3401249)
Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 188n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064857
PNG
(CHEMBL3401244)
Show SMILES Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Show InChI InChI=1S/C15H10ClFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 283n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064771
PNG
(CHEMBL3401253)
Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 284n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064855
PNG
(CHEMBL3401248)
Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 363n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064860
PNG
(CHEMBL3403813)
Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 394n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064856
PNG
(CHEMBL3401245)
Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 473n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064859
PNG
(CHEMBL3401243)
Show SMILES Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Show InChI InChI=1S/C16H13FN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 474n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 481n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064857
PNG
(CHEMBL3401244)
Show SMILES Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Show InChI InChI=1S/C15H10ClFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 488n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064779
PNG
(CHEMBL3401251)
Show SMILES Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C16H13BrN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 662n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064861
PNG
(CHEMBL3401259)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-5-15-12(8-10)16-21-13-9-11(17(18,19)20)3-4-14(13)22(16)6-7-23-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 685n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064859
PNG
(CHEMBL3401243)
Show SMILES Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Show InChI InChI=1S/C16H13FN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 907n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 947n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 983n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064779
PNG
(CHEMBL3401251)
Show SMILES Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C16H13BrN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064861
PNG
(CHEMBL3401259)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-5-15-12(8-10)16-21-13-9-11(17(18,19)20)3-4-14(13)22(16)6-7-23-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kina...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 1.36E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064769
PNG
(CHEMBL3401255)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 9.44E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064788
PNG
(CHEMBL3401249)
Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 1.18E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064860
PNG
(CHEMBL3403813)
Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064771
PNG
(CHEMBL3401253)
Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064857
PNG
(CHEMBL3401244)
Show SMILES Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Show InChI InChI=1S/C15H10ClFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 2.17E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064855
PNG
(CHEMBL3401248)
Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 2.43E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064856
PNG
(CHEMBL3401245)
Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 2.79E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064769
PNG
(CHEMBL3401255)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 3.46E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064859
PNG
(CHEMBL3401243)
Show SMILES Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Show InChI InChI=1S/C16H13FN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 3.46E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064771
PNG
(CHEMBL3401253)
Show SMILES Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C15H10Br2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 3.98E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064861
PNG
(CHEMBL3401259)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-5-15-12(8-10)16-21-13-9-11(17(18,19)20)3-4-14(13)22(16)6-7-23-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 4.16E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064857
PNG
(CHEMBL3401244)
Show SMILES Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Show InChI InChI=1S/C15H10ClFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a 4.26E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064779
PNG
(CHEMBL3401251)
Show SMILES Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C16H13BrN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 4.41E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064779
PNG
(CHEMBL3401251)
Show SMILES Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Show InChI InChI=1S/C16H13BrN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a 4.78E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064861
PNG
(CHEMBL3401259)
Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Show InChI InChI=1S/C17H13F3N2O/c1-10-2-5-15-12(8-10)16-21-13-9-11(17(18,19)20)3-4-14(13)22(16)6-7-23-15/h2-5,8-9H,6-7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064855
PNG
(CHEMBL3401248)
Show SMILES Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-2-4-14-11(7-9)15-18-12-8-10(17)1-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064788
PNG
(CHEMBL3401249)
Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064859
PNG
(CHEMBL3401243)
Show SMILES Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Show InChI InChI=1S/C16H13FN2O/c1-10-2-5-15-12(8-10)16-18-13-9-11(17)3-4-14(13)19(16)6-7-20-15/h2-5,8-9H,6-7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064860
PNG
(CHEMBL3403813)
Show SMILES Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Show InChI InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064856
PNG
(CHEMBL3401245)
Show SMILES Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Show InChI InChI=1S/C15H10BrFN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...


Bioorg Med Chem 23: 1231-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.052
BindingDB Entry DOI: 10.7270/Q2BC417K
More data for this
Ligand-Target Pair