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Compile Data Set for Download or QSAR

Found 476 hits from Cellzome Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
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n/an/a 2.51n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387544
PNG
(CHEMBL2057373)
Show SMILES CN1CCN(CC1)C(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H31N9O4S/c1-23(2,3)29-37(35,36)18-11-17(12-24-13-18)16-5-6-19-26-21(28-32(19)15-16)27-22(34)25-14-20(33)31-9-7-30(4)8-10-31/h5-6,11-13,15,29H,7-10,14H2,1-4H3,(H2,25,27,28,34)
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n/an/a 2.51n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387546
PNG
(CHEMBL2057363)
Show SMILES CN(C)C(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C20H26N8O4S/c1-20(2,3)26-33(31,32)15-8-14(9-21-10-15)13-6-7-16-23-18(25-28(16)12-13)24-19(30)22-11-17(29)27(4)5/h6-10,12,26H,11H2,1-5H3,(H2,22,24,25,30)
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n/an/a 3.16n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387543
PNG
(CHEMBL2057372)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCOCC3)nn2c1
Show InChI InChI=1S/C22H28N8O5S/c1-22(2,3)28-36(33,34)17-10-16(11-23-12-17)15-4-5-18-25-20(27-30(18)14-15)26-21(32)24-13-19(31)29-6-8-35-9-7-29/h4-5,10-12,14,28H,6-9,13H2,1-3H3,(H2,24,26,27,32)
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n/an/a 3.98n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389412
PNG
(CHEMBL2064508)
Show SMILES Nc1nc2ccc(cn2n1)-c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H13ClN6O2S/c18-13-2-4-15(5-3-13)27(25,26)23-14-7-12(8-20-9-14)11-1-6-16-21-17(19)22-24(16)10-11/h1-10,23H,(H2,19,22)
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n/an/a 6.31n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
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n/an/a 6.31n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387542
PNG
(CHEMBL2057371)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCCC3)nn2c1
Show InChI InChI=1S/C22H28N8O4S/c1-22(2,3)28-35(33,34)17-10-16(11-23-12-17)15-6-7-18-25-20(27-30(18)14-15)26-21(32)24-13-19(31)29-8-4-5-9-29/h6-7,10-12,14,28H,4-5,8-9,13H2,1-3H3,(H2,24,26,27,32)
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n/an/a 6.31n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387539
PNG
(CHEMBL2057366)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cnccn3)nn2c1
Show InChI InChI=1S/C22H25N9O3S/c1-22(2,3)30-35(33,34)18-10-16(11-24-13-18)15-4-5-19-27-20(29-31(19)14-15)28-21(32)26-7-6-17-12-23-8-9-25-17/h4-5,8-14,30H,6-7H2,1-3H3,(H2,26,28,29,32)
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n/an/a 6.31n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401144
PNG
(CHEMBL2205771)
Show SMILES CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)
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n/an/a 7.90n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389427
PNG
(CHEMBL2064507)
Show SMILES Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C21H16N6O2S/c22-21-24-20-9-8-15(13-27(20)25-21)16-10-17(12-23-11-16)30(28,29)26-19-7-3-5-14-4-1-2-6-18(14)19/h1-13,26H,(H2,22,25)
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n/an/a 7.94n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387538
PNG
(CHEMBL2057365)
Show SMILES Cc1nc(CCNC(=O)Nc2nc3ccc(cn3n2)-c2cncc(c2)S(=O)(=O)NC(C)(C)C)cs1
Show InChI InChI=1S/C22H26N8O3S2/c1-14-25-17(13-34-14)7-8-24-21(31)27-20-26-19-6-5-15(12-30(19)28-20)16-9-18(11-23-10-16)35(32,33)29-22(2,3)4/h5-6,9-13,29H,7-8H2,1-4H3,(H2,24,27,28,31)
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n/an/a 7.94n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389431
PNG
(CHEMBL2064501)
Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(CS(N)(=O)=O)c1
Show InChI InChI=1S/C14H14N6O3S/c1-9(21)17-14-18-13-3-2-11(7-20(13)19-14)12-4-10(5-16-6-12)8-24(15,22)23/h2-7H,8H2,1H3,(H2,15,22,23)(H,17,19,21)
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n/an/a 7.94n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387540
PNG
(CHEMBL2057367)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3nnc(o3)C3CC3)nn2c1
Show InChI InChI=1S/C23H27N9O4S/c1-23(2,3)31-37(34,35)17-10-16(11-24-12-17)15-6-7-18-26-21(30-32(18)13-15)27-22(33)25-9-8-19-28-29-20(36-19)14-4-5-14/h6-7,10-14,31H,4-5,8-9H2,1-3H3,(H2,25,27,30,33)
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n/an/a 10n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387544
PNG
(CHEMBL2057373)
Show SMILES CN1CCN(CC1)C(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H31N9O4S/c1-23(2,3)29-37(35,36)18-11-17(12-24-13-18)16-5-6-19-26-21(28-32(19)15-16)27-22(34)25-14-20(33)31-9-7-30(4)8-10-31/h5-6,11-13,15,29H,7-10,14H2,1-4H3,(H2,25,27,28,34)
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n/an/a 12.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387536
PNG
(CHEMBL2057362)
Show SMILES Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H28N8O4S/c1-14-19(15(2)35-29-14)8-9-25-22(32)27-21-26-20-7-6-16(13-31(20)28-21)17-10-18(12-24-11-17)36(33,34)30-23(3,4)5/h6-7,10-13,30H,8-9H2,1-5H3,(H2,25,27,28,32)
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n/an/a 12.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387530
PNG
(CHEMBL2059910)
Show SMILES CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C17H21N7O3S/c1-17(2,3)23-28(26,27)13-7-12(8-19-9-13)11-5-6-14-20-15(21-16(25)18-4)22-24(14)10-11/h5-10,23H,1-4H3,(H2,18,21,22,25)
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n/an/a 12.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a 13n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of CK2a1


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389391
PNG
(CHEMBL2064512)
Show SMILES Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C15H16N6O2S/c16-15-19-14-4-3-11(9-21(14)20-15)12-5-13(8-17-7-12)24(22,23)18-6-10-1-2-10/h3-5,7-10,18H,1-2,6H2,(H2,16,20)
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n/an/a 15.8n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387527
PNG
(CHEMBL2057370)
Show SMILES CNC(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C19H24N8O4S/c1-19(2,3)26-32(30,31)14-7-13(8-21-9-14)12-5-6-15-23-17(25-27(15)11-12)24-18(29)22-10-16(28)20-4/h5-9,11,26H,10H2,1-4H3,(H,20,28)(H2,22,24,25,29)
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n/an/a 15.8n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387548
PNG
(CHEMBL2059913)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCN3CCOCC3)nn2c1
Show InChI InChI=1S/C22H30N8O4S/c1-22(2,3)28-35(32,33)18-12-17(13-23-14-18)16-4-5-19-25-20(27-30(19)15-16)26-21(31)24-6-7-29-8-10-34-11-9-29/h4-5,12-15,28H,6-11H2,1-3H3,(H2,24,26,27,31)
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n/an/a 15.8n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387543
PNG
(CHEMBL2057372)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCOCC3)nn2c1
Show InChI InChI=1S/C22H28N8O5S/c1-22(2,3)28-36(33,34)17-10-16(11-23-12-17)15-4-5-18-25-20(27-30(18)14-15)26-21(32)24-13-19(31)29-6-8-35-9-7-29/h4-5,10-12,14,28H,6-9,13H2,1-3H3,(H2,24,26,27,32)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387538
PNG
(CHEMBL2057365)
Show SMILES Cc1nc(CCNC(=O)Nc2nc3ccc(cn3n2)-c2cncc(c2)S(=O)(=O)NC(C)(C)C)cs1
Show InChI InChI=1S/C22H26N8O3S2/c1-14-25-17(13-34-14)7-8-24-21(31)27-20-26-19-6-5-15(12-30(19)28-20)16-9-18(11-23-10-16)35(32,33)29-22(2,3)4/h5-6,9-13,29H,7-8H2,1-4H3,(H2,24,27,28,31)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401150
PNG
(CHEMBL2205763)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)n2nc(N)nc2c1
Show InChI InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-10(7-18-8-11)9-5-12(16)22-13(6-9)19-14(17)20-22/h4-8,21H,1-3H3,(H2,17,20)
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n/an/a 16n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387548
PNG
(CHEMBL2059913)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCN3CCOCC3)nn2c1
Show InChI InChI=1S/C22H30N8O4S/c1-22(2,3)28-35(32,33)18-12-17(13-23-14-18)16-4-5-19-25-20(27-30(19)15-16)26-21(31)24-6-7-29-8-10-34-11-9-29/h4-5,12-15,28H,6-11H2,1-3H3,(H2,24,26,27,31)
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n/an/a 19.9n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401153
PNG
(CHEMBL2205767)
Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C13H11F3N6O2S/c14-13(15,16)7-19-25(23,24)10-3-9(5-18-6-10)8-1-2-22-11(4-8)20-12(17)21-22/h1-6,19H,7H2,(H2,17,21)
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n/an/a 20n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401149
PNG
(CHEMBL2205773)
Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H10N6O2S/c12-11-15-10-4-7(1-2-17(10)16-11)8-3-9(6-14-5-8)20(13,18)19/h1-6H,(H2,12,16)(H2,13,18,19)
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n/an/a 20n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401147
PNG
(CHEMBL2205768)
Show SMILES CC(C)(NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N6O2S/c1-14(2,15(16,17)18)23-27(25,26)11-5-10(7-20-8-11)9-3-4-24-12(6-9)21-13(19)22-24/h3-8,23H,1-2H3,(H2,19,22)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401146
PNG
(CHEMBL2205772)
Show SMILES CC1(C)CCN1S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C16H18N6O2S/c1-16(2)4-6-22(16)25(23,24)13-7-12(9-18-10-13)11-3-5-21-14(8-11)19-15(17)20-21/h3,5,7-10H,4,6H2,1-2H3,(H2,17,20)
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n/an/a 25n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a 25n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389420
PNG
(CHEMBL2064571)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)c2nc(N)nn2c1
Show InChI InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)
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n/an/a 25n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401143
PNG
(CHEMBL2205774)
Show SMILES CNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C12H12N6O2S/c1-14-21(19,20)10-4-9(6-15-7-10)8-2-3-18-11(5-8)16-12(13)17-18/h2-7,14H,1H3,(H2,13,17)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401148
PNG
(CHEMBL2205765)
Show SMILES CC(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C14H16N6O2S/c1-9(2)19-23(21,22)12-5-11(7-16-8-12)10-3-4-20-13(6-10)17-14(15)18-20/h3-9,19H,1-2H3,(H2,15,18)
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n/an/a 25n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389420
PNG
(CHEMBL2064571)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)c2nc(N)nn2c1
Show InChI InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)
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n/an/a 25.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387535
PNG
(CHEMBL2057361)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Show InChI InChI=1S/C24H27N7O3S/c1-24(2,3)30-35(33,34)20-13-19(14-25-15-20)18-9-10-21-27-22(29-31(21)16-18)28-23(32)26-12-11-17-7-5-4-6-8-17/h4-10,13-16,30H,11-12H2,1-3H3,(H2,26,28,29,32)
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n/an/a 25.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387539
PNG
(CHEMBL2057366)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cnccn3)nn2c1
Show InChI InChI=1S/C22H25N9O3S/c1-22(2,3)30-35(33,34)18-10-16(11-24-13-18)15-4-5-19-27-20(29-31(19)14-15)28-21(32)26-7-6-17-12-23-8-9-25-17/h4-5,8-14,30H,6-7H2,1-3H3,(H2,26,28,29,32)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387536
PNG
(CHEMBL2057362)
Show SMILES Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C23H28N8O4S/c1-14-19(15(2)35-29-14)8-9-25-22(32)27-21-26-20-7-6-16(13-31(20)28-21)17-10-18(12-24-11-17)36(33,34)30-23(3,4)5/h6-7,10-13,30H,8-9H2,1-5H3,(H2,25,27,28,32)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387529
PNG
(CHEMBL2059909)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-21(13)9-10/h4-9,20H,1-3H3,(H2,16,19)
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Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387537
PNG
(CHEMBL2057364)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1
Show InChI InChI=1S/C21H25N9O3S/c1-21(2,3)28-34(32,33)17-11-16(12-22-13-17)15-5-6-18-25-19(27-30(18)14-15)26-20(31)23-8-10-29-9-4-7-24-29/h4-7,9,11-14,28H,8,10H2,1-3H3,(H2,23,26,27,31)
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n/an/a 25.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387529
PNG
(CHEMBL2059909)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-21(13)9-10/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a 25.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387535
PNG
(CHEMBL2057361)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Show InChI InChI=1S/C24H27N7O3S/c1-24(2,3)30-35(33,34)20-13-19(14-25-15-20)18-9-10-21-27-22(29-31(21)16-18)28-23(32)26-12-11-17-7-5-4-6-8-17/h4-10,13-16,30H,11-12H2,1-3H3,(H2,26,28,29,32)
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n/an/a 31.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389428
PNG
(CHEMBL2064511)
Show SMILES CC(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
Show InChI InChI=1S/C14H16N6O2S/c1-9(2)19-23(21,22)12-5-11(6-16-7-12)10-3-4-13-17-14(15)18-20(13)8-10/h3-9,19H,1-2H3,(H2,15,18)
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n/an/a 31.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401151
PNG
(CHEMBL2205764)
Show SMILES CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C14H16N6O2S/c1-2-4-17-23(21,22)12-6-11(8-16-9-12)10-3-5-20-13(7-10)18-14(15)19-20/h3,5-9,17H,2,4H2,1H3,(H2,15,19)
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n/an/a 32n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389408
PNG
(CHEMBL2064500)
Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C20H18N6O3S/c1-14(27)23-20-24-19-8-7-16(13-26(19)25-20)17-9-18(12-21-11-17)30(28,29)22-10-15-5-3-2-4-6-15/h2-9,11-13,22H,10H2,1H3,(H,23,25,27)
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n/an/a 39.8n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389395
PNG
(CHEMBL2064482)
Show SMILES COc1ccc(cc1OC)-c1ccc2nc(NC(C)=O)nn2c1
Show InChI InChI=1S/C16H16N4O3/c1-10(21)17-16-18-15-7-5-12(9-20(15)19-16)11-4-6-13(22-2)14(8-11)23-3/h4-9H,1-3H3,(H,17,19,21)
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n/an/a 39.8n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50401142
PNG
(CHEMBL2205769)
Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H14N6O2S/c18-17-20-16-9-12(6-7-23(16)21-17)13-8-15(11-19-10-13)26(24,25)22-14-4-2-1-3-5-14/h1-11,22H,(H2,18,21)
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n/an/a 40n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PIK3Cg


Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387547
PNG
(CHEMBL2057369)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C23H29N11O3S/c1-23(2,3)31-38(36,37)18-11-17(12-24-13-18)16-7-8-19-26-21(30-33(19)14-16)27-22(35)25-9-4-10-34-29-20(28-32-34)15-5-6-15/h7-8,11-15,31H,4-6,9-10H2,1-3H3,(H2,25,27,30,35)
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n/an/a 50.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50387547
PNG
(CHEMBL2057369)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C23H29N11O3S/c1-23(2,3)31-38(36,37)18-11-17(12-24-13-18)16-7-8-19-26-21(30-33(19)14-16)27-22(35)25-9-4-10-34-29-20(28-32-34)15-5-6-15/h7-8,11-15,31H,4-6,9-10H2,1-3H3,(H2,25,27,30,35)
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n/an/a 63.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50387541
PNG
(CHEMBL2057368)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
Show InChI InChI=1S/C22H27N11O3S/c1-22(2,3)30-37(35,36)17-10-16(11-23-12-17)15-6-7-18-25-20(29-32(18)13-15)26-21(34)24-8-9-33-28-19(27-31-33)14-4-5-14/h6-7,10-14,30H,4-5,8-9H2,1-3H3,(H2,24,26,29,34)
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n/an/a 63.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50389407
PNG
(CHEMBL2064499)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(C)=O)nn2c1
Show InChI InChI=1S/C14H13N5O2/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(21-2)7-15-6-11/h3-8H,1-2H3,(H,16,18,20)
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n/an/a 63.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay


Bioorg Med Chem Lett 22: 5257-63 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.049
BindingDB Entry DOI: 10.7270/Q2CR5VFP
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50387542
PNG
(CHEMBL2057371)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCCC3)nn2c1
Show InChI InChI=1S/C22H28N8O4S/c1-22(2,3)28-35(33,34)17-10-16(11-23-12-17)15-6-7-18-25-20(27-30(18)14-15)26-21(32)24-13-19(31)29-8-4-5-9-29/h6-7,10-12,14,28H,4-5,8-9,13H2,1-3H3,(H2,24,26,27,32)
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n/an/a 63.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
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