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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50027095   
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 delta isoform


(Homo sapiens (Human))
BDBM50265362
PNG
(2-(6-(1-(3-aminopropyl)-3-methyl-1H-pyrazol-4-yl)-...)
Show SMILES Cc1nn(CCCN)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H28N6O2S/c1-14-16(13-28(27-14)8-4-7-24)15-5-6-19-18(11-15)29(9-10-31-19)22-25-17-12-23(2,3)26-21(30)20(17)32-22/h5-6,11,13H,4,7-10,12,24H2,1-3H3,(H,26,30)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264777
PNG
(6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H...)
Show SMILES Cc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C21H22N6O2S/c1-12-4-7-17(26-25-12)22-13-5-6-16-15(10-13)27(8-9-29-16)20-23-14-11-21(2,3)24-19(28)18(14)30-20/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H,24,28)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265317
PNG
(2-(6-(1-benzyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]ox...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C26H25N5O2S/c1-26(2)13-20-23(24(32)29-26)34-25(28-20)31-10-11-33-22-9-8-18(12-21(22)31)19-14-27-30(16-19)15-17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13,15H2,1-2H3,(H,29,32)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265318
PNG
(6,6-dimethyl-2-(6-(1-(pyridin-3-ylmethyl)-1H-pyraz...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2cccnc2)c1
Show InChI InChI=1S/C25H24N6O2S/c1-25(2)11-19-22(23(32)29-25)34-24(28-19)31-8-9-33-21-6-5-17(10-20(21)31)18-13-27-30(15-18)14-16-4-3-7-26-12-16/h3-7,10,12-13,15H,8-9,11,14H2,1-2H3,(H,29,32)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264873
PNG
(6,6-dimethyl-2-(6-(6-phenylpyridazin-3-ylamino)-2H...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)-c3ccccc3)cc12
Show InChI InChI=1S/C26H24N6O2S/c1-26(2)15-19-23(24(33)29-26)35-25(28-19)32-12-13-34-21-10-8-17(14-20(21)32)27-22-11-9-18(30-31-22)16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)(H,29,33)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264872
PNG
(2-(6-(6-methoxypyridazin-3-ylamino)-2H-benzo[b][1,...)
Show SMILES COc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C21H22N6O3S/c1-21(2)11-13-18(19(28)24-21)31-20(23-13)27-8-9-30-15-5-4-12(10-14(15)27)22-16-6-7-17(29-3)26-25-16/h4-7,10H,8-9,11H2,1-3H3,(H,22,25)(H,24,28)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265319
PNG
(2-(6-(1,3-dimethyl-1H-pyrazol-4-yl)-2H-benzo[b][1,...)
Show SMILES Cc1nn(C)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H23N5O2S/c1-12-14(11-25(4)24-12)13-5-6-17-16(9-13)26(7-8-28-17)20-22-15-10-21(2,3)23-19(27)18(15)29-20/h5-6,9,11H,7-8,10H2,1-4H3,(H,23,27)
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n/an/a 8n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264748
PNG
((R)-2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol...)
Show SMILES COC[C@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)/t16-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264871
PNG
(2-(6-(6-(dimethylamino)pyridazin-3-ylamino)-2H-ben...)
Show SMILES CN(C)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C22H25N7O2S/c1-22(2)12-14-19(20(30)25-22)32-21(24-14)29-9-10-31-16-6-5-13(11-15(16)29)23-17-7-8-18(27-26-17)28(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,23,26)(H,25,30)
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n/an/a 12n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265282
PNG
(2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol-4-y...)
Show SMILES COCC(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)
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n/an/a 14n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265364
PNG
((S)-2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol...)
Show SMILES COC[C@@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)/t16-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262173
PNG
(2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxa...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C19H19N5O2S/c1-19(2)8-13-16(17(25)23-19)27-18(22-13)24-5-6-26-15-4-3-11(7-14(15)24)12-9-20-21-10-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,21)(H,23,25)
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n/an/a 16n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265280
PNG
(2-(6-(1-ethyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]oxa...)
Show SMILES CCn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H23N5O2S/c1-4-25-12-14(11-22-25)13-5-6-17-16(9-13)26(7-8-28-17)20-23-15-10-21(2,3)24-19(27)18(15)29-20/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,24,27)
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n/an/a 17n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265319
PNG
(2-(6-(1,3-dimethyl-1H-pyrazol-4-yl)-2H-benzo[b][1,...)
Show SMILES Cc1nn(C)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H23N5O2S/c1-12-14(11-25(4)24-12)13-5-6-17-16(9-13)26(7-8-28-17)20-22-15-10-21(2,3)23-19(27)18(15)29-20/h5-6,9,11H,7-8,10H2,1-4H3,(H,23,27)
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n/an/a 18n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264777
PNG
(6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H...)
Show SMILES Cc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C21H22N6O2S/c1-12-4-7-17(26-25-12)22-13-5-6-16-15(10-13)27(8-9-29-16)20-23-14-11-21(2,3)24-19(28)18(14)30-20/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H,24,28)
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n/an/a 20n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264872
PNG
(2-(6-(6-methoxypyridazin-3-ylamino)-2H-benzo[b][1,...)
Show SMILES COc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C21H22N6O3S/c1-21(2)11-13-18(19(28)24-21)31-20(23-13)27-8-9-30-15-5-4-12(10-14(15)27)22-16-6-7-17(29-3)26-25-16/h4-7,10H,8-9,11H2,1-3H3,(H,22,25)(H,24,28)
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n/an/a 20n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264749
PNG
(6,6-dimethyl-2-(6-(6-(piperazin-1-yl)pyridazin-3-y...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)N3CCNCC3)cc12
Show InChI InChI=1S/C24H28N8O2S/c1-24(2)14-16-21(22(33)28-24)35-23(27-16)32-11-12-34-18-4-3-15(13-17(18)32)26-19-5-6-20(30-29-19)31-9-7-25-8-10-31/h3-6,13,25H,7-12,14H2,1-2H3,(H,26,29)(H,28,33)
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n/an/a 21n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262173
PNG
(2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxa...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C19H19N5O2S/c1-19(2)8-13-16(17(25)23-19)27-18(22-13)24-5-6-26-15-4-3-11(7-14(15)24)12-9-20-21-10-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,21)(H,23,25)
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n/an/a 22n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50264777
PNG
(6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H...)
Show SMILES Cc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C21H22N6O2S/c1-12-4-7-17(26-25-12)22-13-5-6-16-15(10-13)27(8-9-29-16)20-23-14-11-21(2,3)24-19(28)18(14)30-20/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H,24,28)
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n/an/a 23n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264871
PNG
(2-(6-(6-(dimethylamino)pyridazin-3-ylamino)-2H-ben...)
Show SMILES CN(C)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C22H25N7O2S/c1-22(2)12-14-19(20(30)25-22)32-21(24-14)29-9-10-31-16-6-5-13(11-15(16)29)23-17-7-8-18(27-26-17)28(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,23,26)(H,25,30)
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n/an/a 24n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50264777
PNG
(6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H...)
Show SMILES Cc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C21H22N6O2S/c1-12-4-7-17(26-25-12)22-13-5-6-16-15(10-13)27(8-9-29-16)20-23-14-11-21(2,3)24-19(28)18(14)30-20/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H,24,28)
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n/an/a 24n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265283
PNG
(2-(6-(1-(3-(dimethylamino)propyl)-1H-pyrazol-4-yl)...)
Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C24H30N6O2S/c1-24(2)13-18-21(22(31)27-24)33-23(26-18)30-10-11-32-20-7-6-16(12-19(20)30)17-14-25-29(15-17)9-5-8-28(3)4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,27,31)
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n/an/a 29n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264750
PNG
(6,6-dimethyl-2-(6-(6-(4-methylpiperazin-1-yl)pyrid...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C25H30N8O2S/c1-25(2)15-17-22(23(34)28-25)36-24(27-17)33-12-13-35-19-5-4-16(14-18(19)33)26-20-6-7-21(30-29-20)32-10-8-31(3)9-11-32/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)(H,28,34)
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n/an/a 30n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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n/an/a 32n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265243
PNG
(2-(6-(3,5-dimethyl-1H-pyrazol-4-yl)-2H-benzo[b][1,...)
Show SMILES Cc1n[nH]c(C)c1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H23N5O2S/c1-11-17(12(2)25-24-11)13-5-6-16-15(9-13)26(7-8-28-16)20-22-14-10-21(3,4)23-19(27)18(14)29-20/h5-6,9H,7-8,10H2,1-4H3,(H,23,27)(H,24,25)
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n/an/a 32n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264873
PNG
(6,6-dimethyl-2-(6-(6-phenylpyridazin-3-ylamino)-2H...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)-c3ccccc3)cc12
Show InChI InChI=1S/C26H24N6O2S/c1-26(2)15-19-23(24(33)29-26)35-25(28-19)32-12-13-34-21-10-8-17(14-20(21)32)27-22-11-9-18(30-31-22)16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)(H,29,33)
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n/an/a 34n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264749
PNG
(6,6-dimethyl-2-(6-(6-(piperazin-1-yl)pyridazin-3-y...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)N3CCNCC3)cc12
Show InChI InChI=1S/C24H28N8O2S/c1-24(2)14-16-21(22(33)28-24)35-23(27-16)32-11-12-34-18-4-3-15(13-17(18)32)26-19-5-6-20(30-29-19)31-9-7-25-8-10-31/h3-6,13,25H,7-12,14H2,1-2H3,(H,26,29)(H,28,33)
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n/an/a 34n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265318
PNG
(6,6-dimethyl-2-(6-(1-(pyridin-3-ylmethyl)-1H-pyraz...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2cccnc2)c1
Show InChI InChI=1S/C25H24N6O2S/c1-25(2)11-19-22(23(32)29-25)34-24(28-19)31-8-9-33-21-6-5-17(10-20(21)31)18-13-27-30(15-18)14-16-4-3-7-26-12-16/h3-7,10,12-13,15H,8-9,11,14H2,1-2H3,(H,29,32)
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264750
PNG
(6,6-dimethyl-2-(6-(6-(4-methylpiperazin-1-yl)pyrid...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Show InChI InChI=1S/C25H30N8O2S/c1-25(2)15-17-22(23(34)28-25)36-24(27-17)33-12-13-35-19-5-4-16(14-18(19)33)26-20-6-7-21(30-29-20)32-10-8-31(3)9-11-32/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)(H,28,34)
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265363
PNG
(2-(6-(5-amino-1-methyl-1H-pyrazol-4-yl)-2H-benzo[b...)
Show SMILES Cn1ncc(c1N)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H22N6O2S/c1-20(2)9-13-16(18(27)24-20)29-19(23-13)26-6-7-28-15-5-4-11(8-14(15)26)12-10-22-25(3)17(12)21/h4-5,8,10H,6-7,9,21H2,1-3H3,(H,24,27)
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n/an/a 36n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265361
PNG
(2-(6-(1-(2-aminoethyl)-1H-pyrazol-4-yl)-2H-benzo[b...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(CCN)c1
Show InChI InChI=1S/C21H24N6O2S/c1-21(2)10-15-18(19(28)25-21)30-20(24-15)27-7-8-29-17-4-3-13(9-16(17)27)14-11-23-26(12-14)6-5-22/h3-4,9,11-12H,5-8,10,22H2,1-2H3,(H,25,28)
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n/an/a 39n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265281
PNG
(2-(6-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2H-ben...)
Show SMILES CCn1nc(C)c(c1C)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H27N5O2S/c1-6-28-14(3)19(13(2)26-28)15-7-8-18-17(11-15)27(9-10-30-18)22-24-16-12-23(4,5)25-21(29)20(16)31-22/h7-8,11H,6,9-10,12H2,1-5H3,(H,25,29)
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n/an/a 43n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265316
PNG
(6,6-dimethyl-2-(6-(1,3,5-trimethyl-1H-pyrazol-4-yl...)
Show SMILES Cc1nn(C)c(C)c1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C22H25N5O2S/c1-12-18(13(2)26(5)25-12)14-6-7-17-16(10-14)27(8-9-29-17)21-23-15-11-22(3,4)24-20(28)19(15)30-21/h6-7,10H,8-9,11H2,1-5H3,(H,24,28)
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n/an/a 45n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265364
PNG
((S)-2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol...)
Show SMILES COC[C@@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)/t16-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265317
PNG
(2-(6-(1-benzyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]ox...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C26H25N5O2S/c1-26(2)13-20-23(24(32)29-26)34-25(28-20)31-10-11-33-22-9-8-18(12-21(22)31)19-14-27-30(16-19)15-17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13,15H2,1-2H3,(H,29,32)
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n/an/a 48n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265244
PNG
(2-(6-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H27N5O3S/c1-22(2)10-16-19(20(29)26-22)32-21(25-16)28-7-8-31-18-6-5-14(9-17(18)28)15-11-24-27(12-15)13-23(3,4)30/h5-6,9,11-12,30H,7-8,10,13H2,1-4H3,(H,26,29)
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n/an/a 50n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50264748
PNG
((R)-2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol...)
Show SMILES COC[C@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)/t16-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265362
PNG
(2-(6-(1-(3-aminopropyl)-3-methyl-1H-pyrazol-4-yl)-...)
Show SMILES Cc1nn(CCCN)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H28N6O2S/c1-14-16(13-28(27-14)8-4-7-24)15-5-6-19-18(11-15)29(9-10-31-19)22-25-17-12-23(2,3)26-21(30)20(17)32-22/h5-6,11,13H,4,7-10,12,24H2,1-3H3,(H,26,30)
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n/an/a 51n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265282
PNG
(2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol-4-y...)
Show SMILES COCC(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)
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n/an/a 52n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265244
PNG
(2-(6-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C23H27N5O3S/c1-22(2)10-16-19(20(29)26-22)32-21(25-16)28-7-8-31-18-6-5-14(9-17(18)28)15-11-24-27(12-15)13-23(3,4)30/h5-6,9,11-12,30H,7-8,10,13H2,1-4H3,(H,26,29)
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n/an/a 54n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50265245
PNG
(2-(6-(1-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1H...)
Show SMILES Cc1nn(CC(C)(C)O)c(C)c1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C25H31N5O3S/c1-14-20(15(2)30(28-14)13-25(5,6)32)16-7-8-19-18(11-16)29(9-10-33-19)23-26-17-12-24(3,4)27-22(31)21(17)34-23/h7-8,11,32H,9-10,12-13H2,1-6H3,(H,27,31)
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n/an/a 65n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265280
PNG
(2-(6-(1-ethyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]oxa...)
Show SMILES CCn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H23N5O2S/c1-4-25-12-14(11-22-25)13-5-6-17-16(9-13)26(7-8-28-17)20-23-15-10-21(2,3)24-19(27)18(15)29-20/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,24,27)
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n/an/a 70n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265363
PNG
(2-(6-(5-amino-1-methyl-1H-pyrazol-4-yl)-2H-benzo[b...)
Show SMILES Cn1ncc(c1N)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H22N6O2S/c1-20(2)9-13-16(18(27)24-20)29-19(23-13)26-6-7-28-15-5-4-11(8-14(15)26)12-10-22-25(3)17(12)21/h4-5,8,10H,6-7,9,21H2,1-3H3,(H,24,27)
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n/an/a 70n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264910
PNG
(2-(6-(6-aminopyridazin-3-yl)-2H-benzo[b][1,4]oxazi...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1ccc(N)nn1
Show InChI InChI=1S/C20H20N6O2S/c1-20(2)10-13-17(18(27)23-20)29-19(22-13)26-7-8-28-15-5-3-11(9-14(15)26)12-4-6-16(21)25-24-12/h3-6,9H,7-8,10H2,1-2H3,(H2,21,25)(H,23,27)
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n/an/a 72n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50262224
PNG
(6,6-dimethyl-2-(6-(1-methyl-1H-pyrazol-4-yl)-2,3-d...)
Show SMILES Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
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n/an/a 78n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264909
PNG
(2-(6-(6-methoxypyridazin-3-yl)-2H-benzo[b][1,4]oxa...)
Show SMILES COc1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H21N5O3S/c1-21(2)11-14-18(19(27)23-21)30-20(22-14)26-8-9-29-16-6-4-12(10-15(16)26)13-5-7-17(28-3)25-24-13/h4-7,10H,8-9,11H2,1-3H3,(H,23,27)
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n/an/a 89n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264908
PNG
(2-(6-(6-(dimethylamino)pyridazin-3-yl)-2H-benzo[b]...)
Show SMILES CN(C)c1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C22H24N6O2S/c1-22(2)12-15-19(20(29)24-22)31-21(23-15)28-9-10-30-17-7-5-13(11-16(17)28)14-6-8-18(26-25-14)27(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,24,29)
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n/an/a 103n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50264874
PNG
(6,6-dimethyl-2-(6-(6-(piperazin-1-yl)pyridazin-3-y...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1ccc(nn1)N1CCNCC1
Show InChI InChI=1S/C24H27N7O2S/c1-24(2)14-17-21(22(32)27-24)34-23(26-17)31-11-12-33-19-5-3-15(13-18(19)31)16-4-6-20(29-28-16)30-9-7-25-8-10-30/h3-6,13,25H,7-12,14H2,1-2H3,(H,27,32)
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n/an/a 103n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50261841
PNG
(6,6-dimethyl-2-(6-(6-methylpyridazin-3-yl)-2,3-dih...)
Show SMILES Cc1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Show InChI InChI=1S/C21H21N5O2S/c1-12-4-6-14(25-24-12)13-5-7-17-16(10-13)26(8-9-28-17)20-22-15-11-21(2,3)23-19(27)18(15)29-20/h4-7,10H,8-9,11H2,1-3H3,(H,23,27)
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n/an/a 107n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50265361
PNG
(2-(6-(1-(2-aminoethyl)-1H-pyrazol-4-yl)-2H-benzo[b...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(CCN)c1
Show InChI InChI=1S/C21H24N6O2S/c1-21(2)10-15-18(19(28)25-21)30-20(24-15)27-7-8-29-17-4-3-13(9-16(17)27)14-11-23-26(12-14)6-5-22/h3-4,9,11-12H,5-8,10,22H2,1-2H3,(H,25,28)
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n/an/a 131n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 5299-302 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X
More data for this
Ligand-Target Pair
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