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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with all data for entry = 50001274   
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
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274660
PNG
(CHEMBL4128537 | US10858355, Example 12)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274640
PNG
(CHEMBL4126445)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274648
PNG
(CHEMBL4127396 | US10858355, Example 22)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274649
PNG
(CHEMBL4129600 | US10858355, Example 30)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274675
PNG
(CHEMBL4126601)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274641
PNG
(CHEMBL4126010 | US10858355, Example 27)
Show SMILES COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(23-12)24-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)25-33(29,30)8-7-31-4/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274639
PNG
(CHEMBL4128230 | US10858355, Example 18)
Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274655
PNG
(CHEMBL4129457)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)CCCO)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H27N3O5S2/c1-12-20(31-22(23-12)24-14(3)27)16-9-17-11-25(13(2)15-5-6-15)21(28)19(17)18(10-16)32(29,30)8-4-7-26/h9-10,13,15,26H,4-8,11H2,1-3H3,(H,23,24,27)/t13-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274642
PNG
(CHEMBL4129877)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(NC(C)=O)s1 |r|
Show InChI InChI=1S/C18H18ClN3O2S/c1-9(11-3-4-11)22-8-13-5-12(6-14(19)16(13)17(22)24)15-7-20-18(25-15)21-10(2)23/h5-7,9,11H,3-4,8H2,1-2H3,(H,20,21,23)/t9-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274657
PNG
(CHEMBL4127833)
Show SMILES C[C@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274648
PNG
(CHEMBL4127396 | US10858355, Example 22)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274649
PNG
(CHEMBL4129600 | US10858355, Example 30)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274656
PNG
(CHEMBL4128652)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C20H20N4O/c1-11-7-14(17-9-22-19-16(23-17)5-6-21-19)8-15-10-24(20(25)18(11)15)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,22)/t12-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274641
PNG
(CHEMBL4126010 | US10858355, Example 27)
Show SMILES COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(23-12)24-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)25-33(29,30)8-7-31-4/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274640
PNG
(CHEMBL4126445)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274675
PNG
(CHEMBL4126601)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274650
PNG
(CHEMBL4130021)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-10-6-13(15-8-23-18(21)17(24-15)19(26)22-3)7-14-9-25(20(27)16(10)14)11(2)12-4-5-12/h6-8,11-12H,4-5,9H2,1-3H3,(H2,21,23)(H,22,26)/t11-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274674
PNG
(CHEMBL4127414)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C17H17ClN4O/c1-9(10-2-3-10)22-8-12-4-11(5-14(18)15(12)16(22)23)13-6-20-17(19)21-7-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21)/t9-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50274640
PNG
(CHEMBL4126445)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged DRAK1 expressed in baculovirus expression system


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274639
PNG
(CHEMBL4128230 | US10858355, Example 18)
Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274660
PNG
(CHEMBL4128537 | US10858355, Example 12)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274658
PNG
(CHEMBL4128809)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1nccnc1N |r|
Show InChI InChI=1S/C18H20N4O/c1-10-7-13(16-17(19)21-6-5-20-16)8-14-9-22(18(23)15(10)14)11(2)12-3-4-12/h5-8,11-12H,3-4,9H2,1-2H3,(H2,19,21)/t11-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3KC2beta (unknown origin)


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274642
PNG
(CHEMBL4129877)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(NC(C)=O)s1 |r|
Show InChI InChI=1S/C18H18ClN3O2S/c1-9(11-3-4-11)22-8-13-5-12(6-14(19)16(13)17(22)24)15-7-20-18(25-15)21-10(2)23/h5-7,9,11H,3-4,8H2,1-2H3,(H,20,21,23)/t9-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274657
PNG
(CHEMBL4127833)
Show SMILES C[C@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274647
PNG
(CHEMBL4127150)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1cc2CNC(=O)c2c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-7-4-10(5-11-6-16-14(20)12(7)11)13-8(2)17-15(21-13)18-9(3)19/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18,19)
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n/an/a 63n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50274647
PNG
(CHEMBL4127150)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1cc2CNC(=O)c2c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-7-4-10(5-11-6-16-14(20)12(7)11)13-8(2)17-15(21-13)18-9(3)19/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18,19)
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n/an/a 79n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50274640
PNG
(CHEMBL4126445)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged CLK4 expressed in baculovirus expression system


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274649
PNG
(CHEMBL4129600 | US10858355, Example 30)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274676
PNG
(CHEMBL4125955)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cc(NC(C)=O)no1 |r|
Show InChI InChI=1S/C18H18ClN3O3/c1-9(11-3-4-11)22-8-13-5-12(6-14(19)17(13)18(22)24)15-7-16(21-25-15)20-10(2)23/h5-7,9,11H,3-4,8H2,1-2H3,(H,20,21,23)/t9-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274655
PNG
(CHEMBL4129457)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)CCCO)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H27N3O5S2/c1-12-20(31-22(23-12)24-14(3)27)16-9-17-11-25(13(2)15-5-6-15)21(28)19(17)18(10-16)32(29,30)8-4-7-26/h9-10,13,15,26H,4-8,11H2,1-3H3,(H,23,24,27)/t13-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274640
PNG
(CHEMBL4126445)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274647
PNG
(CHEMBL4127150)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1cc2CNC(=O)c2c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-7-4-10(5-11-6-16-14(20)12(7)11)13-8(2)17-15(21-13)18-9(3)19/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18,19)
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n/an/a 251n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274655
PNG
(CHEMBL4129457)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)CCCO)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H27N3O5S2/c1-12-20(31-22(23-12)24-14(3)27)16-9-17-11-25(13(2)15-5-6-15)21(28)19(17)18(10-16)32(29,30)8-4-7-26/h9-10,13,15,26H,4-8,11H2,1-3H3,(H,23,24,27)/t13-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274641
PNG
(CHEMBL4126010 | US10858355, Example 27)
Show SMILES COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(23-12)24-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)25-33(29,30)8-7-31-4/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274660
PNG
(CHEMBL4128537 | US10858355, Example 12)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274648
PNG
(CHEMBL4127396 | US10858355, Example 22)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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n/an/a 316n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274675
PNG
(CHEMBL4126601)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m0/s1
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n/an/a 316n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274639
PNG
(CHEMBL4128230 | US10858355, Example 18)
Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274650
PNG
(CHEMBL4130021)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-10-6-13(15-8-23-18(21)17(24-15)19(26)22-3)7-14-9-25(20(27)16(10)14)11(2)12-4-5-12/h6-8,11-12H,4-5,9H2,1-3H3,(H2,21,23)(H,22,26)/t11-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274649
PNG
(CHEMBL4129600 | US10858355, Example 30)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human JeKo1B cells assessed as reduction in AKT phosphorylation at ser473 residue preincubated for 60 mins followed by ant...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274656
PNG
(CHEMBL4128652)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]ccc2n1 |r|
Show InChI InChI=1S/C20H20N4O/c1-11-7-14(17-9-22-19-16(23-17)5-6-21-19)8-15-10-24(20(25)18(11)15)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,22)/t12-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274657
PNG
(CHEMBL4127833)
Show SMILES C[C@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m1/s1
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n/an/a 501n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addit...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50274674
PNG
(CHEMBL4127414)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C17H17ClN4O/c1-9(10-2-3-10)22-8-12-4-11(5-14(18)15(12)16(22)23)13-6-20-17(19)21-7-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21)/t9-/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274648
PNG
(CHEMBL4127396 | US10858355, Example 22)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human JeKo1B cells assessed as reduction in AKT phosphorylation at ser473 residue preincubated for 60 mins followed by ant...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50274659
PNG
(CHEMBL4129270)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cc(no1)N(C)C(C)=O |r|
Show InChI InChI=1S/C19H20ClN3O3/c1-10(12-4-5-12)23-9-14-6-13(7-15(20)18(14)19(23)25)16-8-17(21-26-16)22(3)11(2)24/h6-8,10,12H,4-5,9H2,1-3H3/t10-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50274638
PNG
(CHEMBL4126156 | US10858355, Example 4)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human JeKo1B cells assessed as reduction in AKT phosphorylation at ser473 residue preincubated for 60 mins followed by ant...


J Med Chem 61: 5435-5441 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00447
BindingDB Entry DOI: 10.7270/Q27M0BFZ
More data for this
Ligand-Target Pair
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