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Compile Data Set for Download or QSAR

Found 2786 hits with Last Name = 'safina' and Initial = 'b'   
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/gamma isoform


(Homo sapiens (Human))
BDBM50438628
PNG
(CHEMBL2414299)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
Show InChI InChI=1S/C28H36N8O3S/c1-3-23-29-21-6-4-5-7-22(21)36(23)28-31-26-25(27(32-28)34-10-12-39-13-11-34)30-24(33(26)2)16-19-17-35(18-19)20-8-14-40(37,38)15-9-20/h4-7,19-20H,3,8-18H2,1-2H3
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0.230n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438634
PNG
(CHEMBL2414301)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C27H34N8O2/c1-5-21-28-19-8-6-7-9-20(19)35(21)27-30-24-23(25(31-27)33-10-12-37-13-11-33)29-22(32(24)4)14-18-15-34(16-18)26(36)17(2)3/h6-9,17-18H,5,10-16H2,1-4H3
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0.360n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403075
PNG
(CHEMBL2216902)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
Show InChI InChI=1S/C28H36N8O4S/c1-18(2)24-29-21-6-4-5-7-22(21)36(24)27-31-25-23(26(32-27)34-10-12-39-13-11-34)30-28(33(25)3)40-20-16-35(17-20)19-8-14-41(37,38)15-9-19/h4-7,18-20H,8-17H2,1-3H3
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0.470n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403074
PNG
(CHEMBL2216903)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C26H32N8O3/c1-5-20-27-18-8-6-7-9-19(18)34(20)25-29-22-21(23(30-25)32-10-12-36-13-11-32)28-26(31(22)4)37-17-14-33(15-17)24(35)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3
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0.580n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438630
PNG
(CHEMBL2414297)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(N(C)C3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
Show InChI InChI=1S/C28H37N9O3S/c1-4-23-29-21-7-5-6-8-22(21)37(23)27-31-25-24(26(32-27)35-11-13-40-14-12-35)30-28(34(25)3)33(2)20-17-36(18-20)19-9-15-41(38,39)16-10-19/h5-8,19-20H,4,9-18H2,1-3H3
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0.590n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438633
PNG
(CHEMBL2414294)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1
Show InChI InChI=1S/C28H36N10O3/c1-5-20-30-18-8-6-7-9-19(18)38(20)27-32-22-21(23(33-27)35-14-16-41-17-15-35)31-24(34(22)4)25(39)36-10-12-37(13-11-36)28(2,3)26(29)40/h6-9H,5,10-17H2,1-4H3,(H2,29,40)
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0.800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438635
PNG
(CHEMBL2414300)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C26H33N9O2/c1-5-20-28-18-8-6-7-9-19(18)35(20)26-30-22-21(23(31-26)33-10-12-37-13-11-33)29-25(32(22)4)27-17-14-34(15-17)24(36)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,29)
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0.880n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438629
PNG
(CHEMBL2414298)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
Show InChI InChI=1S/C27H35N9O3S/c1-3-22-29-20-6-4-5-7-21(20)36(22)27-31-24-23(25(32-27)34-10-12-39-13-11-34)30-26(33(24)2)28-18-16-35(17-18)19-8-14-40(37,38)15-9-19/h4-7,18-19H,3,8-17H2,1-2H3,(H,28,30)
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0.900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438637
PNG
(CHEMBL2414238)
Show SMILES CC(C)(O)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C26H32N6O2S/c1-26(2,33)17-6-8-31(9-7-17)16-18-14-22-23(35-18)25(32-10-12-34-13-11-32)29-24(28-22)19-4-3-5-21-20(19)15-27-30-21/h3-5,14-15,17,33H,6-13,16H2,1-2H3,(H,27,30)
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396642
PNG
(CHEMBL2171939)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1
Show InChI InChI=1S/C28H38N10O2/c1-5-21-30-19-8-6-7-9-20(19)38(21)27-32-24-23(25(33-27)36-14-16-40-17-15-36)31-22(34(24)4)18-35-10-12-37(13-11-35)28(2,3)26(29)39/h6-9H,5,10-18H2,1-4H3,(H2,29,39)
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1.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396628
PNG
(CHEMBL2171944)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C28H38N8O2/c1-5-22-29-20-8-6-7-9-21(20)36(22)27-31-25-24(26(32-27)35-14-16-38-17-15-35)30-23(33(25)4)18-34-12-10-19(11-13-34)28(2,3)37/h6-9,19,37H,5,10-18H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50396633
PNG
(CHEMBL2171952)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C29H40N8O2/c1-19(2)25-30-21-8-6-7-9-22(21)37(25)28-32-26-24(27(33-28)36-14-16-39-17-15-36)31-23(34(26)5)18-35-12-10-20(11-13-35)29(3,4)38/h6-9,19-20,38H,10-18H2,1-5H3
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438636
PNG
(CHEMBL2414239)
Show SMILES Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C26H34N8O2/c1-26(2,35)17-7-9-33(10-8-17)16-21-28-22-24(32(21)3)29-23(30-25(22)34-11-13-36-14-12-34)18-5-4-6-20-19(18)15-27-31-20/h4-6,15,17,35H,7-14,16H2,1-3H3,(H,27,31)
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2.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438631
PNG
(CHEMBL2414296)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)C(C)(C)O)n(C)c2n1
Show InChI InChI=1S/C28H36N8O3/c1-5-21-29-19-8-6-7-9-20(19)36(21)27-31-23-22(24(32-27)34-14-16-39-17-15-34)30-25(33(23)4)26(37)35-12-10-18(11-13-35)28(2,3)38/h6-9,18,38H,5,10-17H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50394894
PNG
(CHEMBL2165501)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)C(C)(C)O)cc2n1
Show InChI InChI=1S/C28H36N6O2S/c1-4-24-29-21-7-5-6-8-23(21)34(24)27-30-22-17-20(18-32-11-9-19(10-12-32)28(2,3)35)37-25(22)26(31-27)33-13-15-36-16-14-33/h5-8,17,19,35H,4,9-16,18H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50438632
PNG
(CHEMBL2414295)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C(=O)N3CCN(CC3)C(C)(C)C(N)=O)c(C)c2n1
Show InChI InChI=1S/C29H36N8O3S/c1-5-21-31-19-8-6-7-9-20(19)37(21)28-32-22-18(2)23(41-24(22)25(33-28)34-14-16-40-17-15-34)26(38)35-10-12-36(13-11-35)29(3,4)27(30)39/h6-9H,5,10-17H2,1-4H3,(H2,30,39)
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13n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396642
PNG
(CHEMBL2171939)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1
Show InChI InChI=1S/C28H38N10O2/c1-5-21-30-19-8-6-7-9-20(19)38(21)27-32-24-23(25(33-27)36-14-16-40-17-15-36)31-22(34(24)4)18-35-10-12-37(13-11-35)28(2,3)26(29)39/h6-9H,5,10-18H2,1-4H3,(H2,29,39)
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110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50438632
PNG
(CHEMBL2414295)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C(=O)N3CCN(CC3)C(C)(C)C(N)=O)c(C)c2n1
Show InChI InChI=1S/C29H36N8O3S/c1-5-21-31-19-8-6-7-9-20(19)37(21)28-32-22-18(2)23(41-24(22)25(33-28)34-14-16-40-17-15-34)26(38)35-10-12-36(13-11-35)29(3,4)27(30)39/h6-9H,5,10-17H2,1-4H3,(H2,30,39)
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157n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50438633
PNG
(CHEMBL2414294)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1
Show InChI InChI=1S/C28H36N10O3/c1-5-20-30-18-8-6-7-9-19(18)38(20)27-32-22-21(23(33-27)35-14-16-41-17-15-35)31-24(34(22)4)25(39)36-10-12-37(13-11-36)28(2,3)26(29)40/h6-9H,5,10-17H2,1-4H3,(H2,29,40)
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236n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 23: 4953-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.052
BindingDB Entry DOI: 10.7270/Q2ZG6TP9
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50394918
PNG
(CHEMBL2165504)
Show SMILES CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1)C(N)=O
Show InChI InChI=1S/C27H32FN7O2S/c1-27(2,26(29)36)35-9-7-33(8-10-35)16-17-15-21-23(38-17)25(34-11-13-37-14-12-34)32-24(31-21)22-18-5-6-30-20(18)4-3-19(22)28/h3-6,15,30H,7-14,16H2,1-2H3,(H2,29,36)
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6.60E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins


J Med Chem 55: 5887-900 (2012)


Article DOI: 10.1021/jm3003747
BindingDB Entry DOI: 10.7270/Q2V125XN
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50394917
PNG
(CHEMBL2165505)
Show SMILES Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCN4CCOC[C@H]4C3)cc2n1
Show InChI InChI=1S/C26H29FN6O2S/c27-20-1-2-21-19(3-4-28-21)23(20)25-29-22-13-18(15-31-5-6-32-7-12-35-16-17(32)14-31)36-24(22)26(30-25)33-8-10-34-11-9-33/h1-4,13,17,28H,5-12,14-16H2/t17-/m1/s1
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7.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins


J Med Chem 55: 5887-900 (2012)


Article DOI: 10.1021/jm3003747
BindingDB Entry DOI: 10.7270/Q2V125XN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172655
PNG
(US9090628, 315 | US9090628, 316)
Show SMILES CC(C)N1CCCC(C1)n1nccc1-c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C28H35FN8O/c1-17(2)34-10-6-7-20(15-34)37-25(8-9-30-37)21-13-22-26(14-23(21)29)38-12-11-35-16-24(32-27(22)35)28-31-19(5)33-36(28)18(3)4/h8-9,13-14,16-18,20H,6-7,10-12,15H2,1-5H3
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n/an/a<0.0350n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172706
PNG
(US9090628, 366)
Show SMILES CC(C)N1CCN(C)C(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C29H39N9O/c1-18(2)36-11-10-34(6)25(17-36)27-23(15-30-35(27)7)21-8-9-22-26(14-21)39-13-12-37-16-24(32-28(22)37)29-31-20(5)33-38(29)19(3)4/h8-9,14-16,18-19,25H,10-13,17H2,1-7H3
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n/an/a<0.0350n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172707
PNG
(US9090628, 367)
Show SMILES CC(C)[C@@H]1CN(CCN1C)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C29H39N9O/c1-18(2)25-17-37(11-10-34(25)6)29-23(15-30-35(29)7)21-8-9-22-26(14-21)39-13-12-36-16-24(32-27(22)36)28-31-20(5)33-38(28)19(3)4/h8-9,14-16,18-19,25H,10-13,17H2,1-7H3/t25-/m0/s1
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n/an/a 0.0480n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172459
PNG
(US9090628, 101 | US9090628, 102 | US9090628, 103 |...)
Show SMILES CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
Show InChI InChI=1S/C25H31F3N8O/c1-16-30-24(36(32-16)15-25(26,27)28)18-14-34-10-11-37-21-12-22(29-13-17(21)23(34)31-18)35-9-5-7-20(35)19-6-3-4-8-33(19)2/h12-14,19-20H,3-11,15H2,1-2H3
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n/an/a 0.102n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172459
PNG
(US9090628, 101 | US9090628, 102 | US9090628, 103 |...)
Show SMILES CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
Show InChI InChI=1S/C25H31F3N8O/c1-16-30-24(36(32-16)15-25(26,27)28)18-14-34-10-11-37-21-12-22(29-13-17(21)23(34)31-18)35-9-5-7-20(35)19-6-3-4-8-33(19)2/h12-14,19-20H,3-11,15H2,1-2H3
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n/an/a 0.106n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172459
PNG
(US9090628, 101 | US9090628, 102 | US9090628, 103 |...)
Show SMILES CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
Show InChI InChI=1S/C25H31F3N8O/c1-16-30-24(36(32-16)15-25(26,27)28)18-14-34-10-11-37-21-12-22(29-13-17(21)23(34)31-18)35-9-5-7-20(35)19-6-3-4-8-33(19)2/h12-14,19-20H,3-11,15H2,1-2H3
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n/an/a 0.107n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172682
PNG
(US9090628, 342)
Show SMILES CC(C)N1CCC[C@H](C1)C1CCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C28H39N7O/c1-18(2)32-11-6-7-21(16-32)25-10-12-34(25)22-8-9-23-26(15-22)36-14-13-33-17-24(30-27(23)33)28-29-20(5)31-35(28)19(3)4/h8-9,15,17-19,21,25H,6-7,10-14,16H2,1-5H3/t21-,25?/m1/s1
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n/an/a 0.160n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172654
PNG
(US9090628, 314 | US9090628, 318 | US9090628, 320)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
Show InChI InChI=1S/C26H35N7O/c1-18(2)33-25(27-19(3)29-33)22-16-31-13-14-34-23-15-20(7-8-21(23)24(31)28-22)32-12-6-10-26(32)9-5-11-30(4)17-26/h7-8,15-16,18H,5-6,9-14,17H2,1-4H3
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n/an/a 0.178n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.200n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00447
BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM71464
PNG
(US9546164, 495 | US9694002, 495)
Show SMILES CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H31Cl2FN2O4S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(33)31-37(34,35)21-7-8-21/h10-14,16,20-21H,3-9,15H2,1-2H3,(H,31,33)/t20-/m1/s1
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n/an/a 0.200n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50169425
PNG
(CHEMBL3341983 | US9481677, 44)
Show SMILES Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H12ClF2N5O4S2/c22-11-2-4-16(12(6-11)10-1-3-17-13(5-10)20(25)28-33-17)32-18-7-15(24)19(8-14(18)23)35(30,31)29-21-26-9-27-34-21/h1-9H,(H2,25,28)(H,26,27,29)
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n/an/a 0.200n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 channel in mouse CAD cells by whole-cell patch clamp assay


ACS Med Chem Lett 7: 277-82 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00447
BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM71464
PNG
(US9546164, 495 | US9694002, 495)
Show SMILES CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H31Cl2FN2O4S/c1-27(2,17-10-18(28)12-19(29)11-17)32-9-3-4-20(15-32)36-25-14-24(30)23(13-22(25)16-5-6-16)26(33)31-37(34,35)21-7-8-21/h10-14,16,20-21H,3-9,15H2,1-2H3,(H,31,33)/t20-/m1/s1
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n/an/a 0.200n/an/an/an/a7.2n/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172654
PNG
(US9090628, 314 | US9090628, 318 | US9090628, 320)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
Show InChI InChI=1S/C26H35N7O/c1-18(2)33-25(27-19(3)29-33)22-16-31-13-14-34-23-15-20(7-8-21(23)24(31)28-22)32-12-6-10-26(32)9-5-11-30(4)17-26/h7-8,15-16,18H,5-6,9-14,17H2,1-4H3
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n/an/a 0.236n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172588
PNG
(US9090628, 248 | US9090628, 309 | US9090628, 310)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1S/C30H40N8O2/c1-19(2)38-29(32-20(3)34-38)25-17-36-12-13-40-26-14-21(9-10-23(26)28(36)33-25)24-15-31-35(6)27(24)22-8-7-11-37(16-22)30(4,5)18-39/h9-10,14-15,17,19,22,39H,7-8,11-13,16,18H2,1-6H3
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n/an/a 0.262n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172686
PNG
(US9090628, 346 | US9090628, 348)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1CN(C)C
Show InChI InChI=1S/C24H33N7O/c1-16(2)31-24(25-17(3)27-31)21-15-29-11-12-32-22-13-18(8-9-20(22)23(29)26-21)30-10-6-7-19(30)14-28(4)5/h8-9,13,15-16,19H,6-7,10-12,14H2,1-5H3
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n/an/a 0.288n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172606
PNG
(US9090628, 266 | US9090628, 287 | US9090628, 288)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1S/C29H38N8O2/c1-19(2)36-28(31-20(3)33-36)24-17-34-13-14-39-26-15-21(8-9-23(26)27(34)32-24)25-10-11-30-37(25)22-7-6-12-35(16-22)29(4,5)18-38/h8-11,15,17,19,22,38H,6-7,12-14,16,18H2,1-5H3
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n/an/a 0.292n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172619
PNG
(US9090628, 279 | US9090628, 291 | US9090628, 292)
Show SMILES CC(C)N1CCCC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C29H38N8O/c1-18(2)35-11-7-8-22(16-35)27-24(15-30-34(27)6)21-9-10-23-26(14-21)38-13-12-36-17-25(32-28(23)36)29-31-20(5)33-37(29)19(3)4/h9-10,14-15,17-19,22H,7-8,11-13,16H2,1-6H3
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n/an/a 0.293n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71381
PNG
(US9546164, 440 | US9694002, 440)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F
Show InChI InChI=1S/C23H25Cl2FN2O4S/c1-33(30,31)27-23(29)20-10-19(15-4-5-15)22(11-21(20)26)32-18-3-2-6-28(13-18)12-14-7-16(24)9-17(25)8-14/h7-11,15,18H,2-6,12-13H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 0.300n/an/an/an/an/an/a



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney ...


US Patent US9771376 (2017)


BindingDB Entry DOI: 10.7270/Q2W0983R
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71381
PNG
(US9546164, 440 | US9694002, 440)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F
Show InChI InChI=1S/C23H25Cl2FN2O4S/c1-33(30,31)27-23(29)20-10-19(15-4-5-15)22(11-21(20)26)32-18-3-2-6-28(13-18)12-14-7-16(24)9-17(25)8-14/h7-11,15,18H,2-6,12-13H2,1H3,(H,27,29)/t18-/m1/s1
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US Patent
n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM275877
PNG
(US10071957, Example 96)
Show SMILES Fc1cc(COc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
Show InChI InChI=1S/C20H19Cl2FN2O4S/c21-14-7-15(22)9-16(8-14)29-11-13-6-19(23)18(10-17(13)12-2-3-12)20(26)24-30(27,28)25-4-1-5-25/h6-10,12H,1-5,11H2,(H,24,26)
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n/an/a 0.300n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 time...


US Patent US10071957 (2018)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.300n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00447
BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM145281
PNG
(US8952169, 60 | US9771376, Example 60)
Show SMILES CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
Show InChI InChI=1S/C22H28FNO4S/c1-29(26,27)24-21(25)18-7-17(16-2-3-16)20(8-19(18)23)28-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-16H,2-6,9-12H2,1H3,(H,24,25)
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n/an/a 0.300n/an/an/an/an/a37



Xenon Pharmaceuticals Inc.; Genentech, Inc.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and all...


US Patent US8952169 (2015)


BindingDB Entry DOI: 10.7270/Q2M04445
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50118514
PNG
(CHEMBL3617063 | US9481677, 38)
Show SMILES Nc1nc2cc(ccc2[nH]1)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C21H13ClF2N6O3S2/c22-11-2-4-17(12(6-11)10-1-3-15-16(5-10)29-20(25)28-15)33-18-7-14(24)19(8-13(18)23)35(31,32)30-21-26-9-27-34-21/h1-9H,(H3,25,28,29)(H,26,27,30)
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n/an/a 0.300n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage c...


ACS Med Chem Lett 7: 277-82 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00447
BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172700
PNG
(US9090628, 360 | US9090628, 361)
Show SMILES CC(C)N1CCCC(C1)c1[nH]ncc1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C28H36N8O/c1-17(2)34-10-6-7-21(15-34)26-23(14-29-32-26)20-8-9-22-25(13-20)37-12-11-35-16-24(31-27(22)35)28-30-19(5)33-36(28)18(3)4/h8-9,13-14,16-18,21H,6-7,10-12,15H2,1-5H3,(H,29,32)
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n/an/a 0.311n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172665
PNG
(US9090628, 325)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C26H35N7O/c1-18(2)33-26(27-19(3)29-33)23-17-31-13-14-34-24-15-20(8-9-22(24)25(31)28-23)32-12-6-7-21(32)16-30-10-4-5-11-30/h8-9,15,17-18,21H,4-7,10-14,16H2,1-3H3/t21-/m0/s1
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n/an/a 0.313n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172693
PNG
(US9090628, 353 | US9090628, 355)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
Show InChI InChI=1S/C29H37FN8O2/c1-18(2)37-28(32-19(3)34-37)24-16-35-11-12-40-26-14-23(30)21(13-22(26)27(35)33-24)25-8-9-31-38(25)20-7-6-10-36(15-20)29(4,5)17-39/h8-9,13-14,16,18,20,39H,6-7,10-12,15,17H2,1-5H3
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n/an/a 0.314n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172619
PNG
(US9090628, 279 | US9090628, 291 | US9090628, 292)
Show SMILES CC(C)N1CCCC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
Show InChI InChI=1S/C29H38N8O/c1-18(2)35-11-7-8-22(16-35)27-24(15-30-34(27)6)21-9-10-23-26(14-21)38-13-12-36-17-25(32-28(23)36)29-31-20(5)33-37(29)19(3)4/h9-10,14-15,17-19,22H,7-8,11-13,16H2,1-6H3
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n/an/a 0.324n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM172654
PNG
(US9090628, 314 | US9090628, 318 | US9090628, 320)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
Show InChI InChI=1S/C26H35N7O/c1-18(2)33-25(27-19(3)29-33)22-16-31-13-14-34-23-15-20(7-8-21(23)24(31)28-22)32-12-6-10-26(32)9-5-11-30(4)17-26/h7-8,15-16,18H,5-6,9-14,17H2,1-4H3
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n/an/a 0.335n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
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