Compile Data Set for Download or QSAR

Found 2371 hits with Last Name = 'treiberg' and Initial = 'ja'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50168297 (CHEMBL3805760 | US9765060, Compound 96) Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN7O/c1-12-15(11-24)19(29-22(25)27-12)26-13(2)20-28-17-10-6-9-16(23)18(17)21(31)30(20)14-7-4-3-5-8-14/h3-10,13H,1-2H3,(H3,25,26,27,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341173 ((S)-2,4-diamino-6-(((5-chloro-4-oxo-3-phenyl-3,4-d...) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](c2ccccc2)c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)n1 Show InChI InChI=1S/C26H19ClN8O/c27-18-12-7-13-19-20(18)25(36)35(16-10-5-2-6-11-16)24(31-19)21(15-8-3-1-4-9-15)32-23-17(14-28)22(29)33-26(30)34-23/h1-13,21H,(H5,29,30,32,33,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198011 (US9221795, 7) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C21H19N9O/c1-11-5-3-7-15-16(11)20(31)30(13-6-4-8-25-10-13)19(27-15)12(2)26-18-14(9-22)17(23)28-21(24)29-18/h3-8,10,12H,1-2H3,(H5,23,24,26,28,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341228 ((S)-2,4-diamino-6-((1-(5-(3-(3,3-difluoropyrrolidi...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C28H28F3N9O/c1-16(35-24-19(14-32)23(33)37-27(34)38-24)25-36-22-20(29)10-9-17(6-5-12-39-13-11-28(30,31)15-39)21(22)26(41)40(25)18-7-3-2-4-8-18/h2-4,7-10,16H,5-6,11-13,15H2,1H3,(H5,33,34,35,37,38)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341219 ((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(3-(piperi...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCCCC3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C29H33N9O/c1-19(33-26-22(18-30)25(31)35-29(32)36-26)27-34-23-14-8-10-20(11-9-17-37-15-6-3-7-16-37)24(23)28(39)38(27)21-12-4-2-5-13-21/h2,4-5,8,10,12-14,19H,3,6-7,9,11,15-17H2,1H3,(H5,31,32,33,35,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500199 (US11021467, Compound 56) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2CCC(F)(F)CC2)n1 |r| Show InChI InChI=1S/C26H30ClF2N9O/c27-17-3-1-4-18-19(17)24(39)38(12-2-11-33-15-7-9-26(28,29)10-8-15)23(34-18)20(14-5-6-14)35-22-16(13-30)21(31)36-25(32)37-22/h1,3-4,14-15,20,33H,2,5-12H2,(H5,31,32,35,36,37)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50168484 (CHEMBL3805137 | US9765060, Compound Y) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-14(10-23)18(24)25-11-26-19)20-28-16-9-5-8-15(22)17(16)21(30)29(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341280 (N-((3R,5S)-5-(5-chloro-4-oxo-3-phenyl-3,4-dihydroq...) Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)C(F)F Show InChI InChI=1S/C25H20ClF2N9O2/c26-15-7-4-8-16-18(15)24(39)37(13-5-2-1-3-6-13)22(33-16)17-9-12(32-23(38)19(27)28)11-36(17)21-14(10-29)20(30)34-25(31)35-21/h1-8,12,17,19H,9,11H2,(H,32,38)(H4,30,31,34,35)/t12-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198044 (BDBM198045 | US9221795, 40) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnccc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C21H18ClN9O/c1-10-6-7-26-9-15(10)31-19(28-14-5-3-4-13(22)16(14)20(31)32)11(2)27-18-12(8-23)17(24)29-21(25)30-18/h3-7,9,11H,1-2H3,(H5,24,25,27,29,30)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198028 (US9221795, 24) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H15ClFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500197 (US11021467, Compound 54) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2CCC2)n1 |r| Show InChI InChI=1S/C24H28ClN9O/c25-16-6-2-7-17-18(16)23(35)34(11-3-10-29-14-4-1-5-14)22(30-17)19(13-8-9-13)31-21-15(12-26)20(27)32-24(28)33-21/h2,6-7,13-14,19,29H,1,3-5,8-11H2,(H5,27,28,31,32,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198097 (BDBM198098 | US9221795, 93) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C21H19ClN10O/c1-9-6-15(24)27-8-14(9)32-19(29-13-5-3-4-12(22)16(13)20(32)33)10(2)28-18-11(7-23)17(25)30-21(26)31-18/h3-6,8,10H,1-2H3,(H2,24,27)(H5,25,26,28,30,31)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198050 (BDBM198051 | US9221795, 46) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1C |r,wD:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)| Show InChI InChI=1S/C21H17ClFN9O/c1-9-13(23)7-27-8-15(9)32-19(29-14-5-3-4-12(22)16(14)20(32)33)10(2)28-18-11(6-24)17(25)30-21(26)31-18/h3-5,7-8,10H,1-2H3,(H5,25,26,28,30,31)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341211 ((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C24H22FN9O2/c1-12(30-21-15(11-26)20(28)32-24(29)33-21)22-31-19-16(25)9-7-13(8-10-17(27)35)18(19)23(36)34(22)14-5-3-2-4-6-14/h2-7,9,12H,8,10H2,1H3,(H2,27,35)(H5,28,29,30,32,33)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500198 (US11021467, Compound 55) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2COC2)n1 |r| Show InChI InChI=1S/C23H26ClN9O2/c24-15-3-1-4-16-17(15)22(34)33(8-2-7-28-13-10-35-11-13)21(29-16)18(12-5-6-12)30-20-14(9-25)19(26)31-23(27)32-20/h1,3-4,12-13,18,28H,2,5-8,10-11H2,(H5,26,27,30,31,32)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341227 ((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(3-(2,2,6,...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C28H27F4N9O2/c1-16(36-23-19(13-33)22(34)38-26(35)39-23)24-37-20-11-5-7-17(21(20)25(42)41(24)18-9-3-2-4-10-18)8-6-12-40-14-27(29,30)43-28(31,32)15-40/h2-5,7,9-11,16H,6,8,12,14-15H2,1H3,(H5,34,35,36,38,39)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341221 ((S)-2,4-diamino-6-((1-(5-(3-(4,4-difluoropiperidin...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC(F)(F)CC3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C29H31F2N9O/c1-18(35-25-21(17-32)24(33)37-28(34)38-25)26-36-22-11-5-7-19(8-6-14-39-15-12-29(30,31)13-16-39)23(22)27(41)40(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12-16H2,1H3,(H5,33,34,35,37,38)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341210 ((S)-3-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)am...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C24H23N9O2/c1-13(29-21-16(12-25)20(27)31-24(28)32-21)22-30-17-9-5-6-14(10-11-18(26)34)19(17)23(35)33(22)15-7-3-2-4-8-15/h2-9,13H,10-11H2,1H3,(H2,26,34)(H5,27,28,29,31,32)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198088 (US9221795, 84) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r| Show InChI InChI=1S/C20H16Cl2N10O/c1-8(28-17-10(6-23)16(25)30-20(26)31-17)18-29-15-12(22)4-3-11(21)14(15)19(33)32(18)9-2-5-13(24)27-7-9/h2-5,7-8H,1H3,(H2,24,27)(H5,25,26,28,30,31)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198068 (US9221795, 64) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Br)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H15BrFN9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198112 (US9221795, 108) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(N)c1 |r| Show InChI InChI=1S/C20H17ClN10O/c1-9(27-17-12(6-22)16(24)29-20(25)30-17)18-28-14-4-2-3-13(21)15(14)19(32)31(18)11-5-10(23)7-26-8-11/h2-5,7-9H,23H2,1H3,(H5,24,25,27,29,30)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198032 (US9221795, 28) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r| Show InChI InChI=1S/C22H17Cl2N9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341234 ((S)-2,4-diamino-6-((1-(5-(3-morpholinopropyl)-4-ox...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C28H31N9O2/c1-18(32-25-21(17-29)24(30)34-28(31)35-25)26-33-22-11-5-7-19(8-6-12-36-13-15-39-16-14-36)23(22)27(38)37(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12-16H2,1H3,(H5,30,31,32,34,35)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341270 ((S)-2-(1-((2-amino-5-iodo-6-methylpyrimidin-4-yl)a...) Show SMILES C[C@H](Nc1nc(N)nc(C)c1I)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C21H18ClIN6O/c1-11-17(23)18(28-21(24)26-11)25-12(2)19-27-15-10-6-9-14(22)16(15)20(30)29(19)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H3,24,25,26,28)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198006 (US9221795, 1) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H16ClN9O/c1-10(26-17-12(8-22)16(23)28-20(24)29-17)18-27-14-6-2-5-13(21)15(14)19(31)30(18)11-4-3-7-25-9-11/h2-7,9-10H,1H3,(H5,23,24,26,28,29)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198094 (US9221795, 90) Show SMILES Nc1ccc(cn1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r| Show InChI InChI=1S/C22H19ClN10O/c23-13-2-1-3-14-16(13)21(34)33(11-6-7-15(25)28-9-11)20(29-14)17(10-4-5-10)30-19-12(8-24)18(26)31-22(27)32-19/h1-3,6-7,9-10,17H,4-5H2,(H2,25,28)(H5,26,27,30,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198091 (US9221795, 87) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r| Show InChI InChI=1S/C21H19ClN10O/c1-2-13(28-18-11(8-23)17(25)30-21(26)31-18)19-29-14-5-3-4-12(22)16(14)20(33)32(19)10-6-7-15(24)27-9-10/h3-7,9,13H,2H2,1H3,(H2,24,27)(H5,25,26,28,30,31)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198008 (US9221795, 3) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r| Show InChI InChI=1S/C22H18ClN9O/c23-14-4-1-5-15-16(14)21(33)32(12-3-2-8-27-10-12)20(28-15)17(11-6-7-11)29-19-13(9-24)18(25)30-22(26)31-19/h1-5,8,10-11,17H,6-7H2,(H5,25,26,29,30,31)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341239 ((S)-2-amino-4-chloro-6-((1-(5-chloro-8-fluoro-4-ox...) Show SMILES C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C21H14Cl2FN7O/c1-10(27-18-12(9-25)17(23)29-21(26)30-18)19-28-16-14(24)8-7-13(22)15(16)20(32)31(19)11-5-3-2-4-6-11/h2-8,10H,1H3,(H3,26,27,29,30)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198027 (US9221795, 23) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccnc1 |r| Show InChI InChI=1S/C20H15Cl2N9O/c1-9(27-17-11(7-23)16(24)29-20(25)30-17)18-28-15-13(22)5-4-12(21)14(15)19(32)31(18)10-3-2-6-26-8-10/h2-6,8-9H,1H3,(H5,24,25,27,29,30)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341226 ((S)-2,4-diamino-6-((1-(5-(3-(3,3-dimethylmorpholin...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3(C)C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-18-30(38,2)3)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM198101 (US9221795, 97) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r| Show InChI InChI=1S/C20H17ClN10O/c1-9(27-17-11(7-22)16(24)29-20(25)30-17)18-28-13-4-2-3-12(21)15(13)19(32)31(18)10-5-6-14(23)26-8-10/h2-6,8-9H,1H3,(H2,23,26)(H5,24,25,27,29,30)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341218 ((S)-2,4-diamino-6-((1-(4-oxo-3-phenyl-5-(2-(pyrrol...) Show SMILES C[C@@H](Cc1cccc2nc(C(C)Nc3nc(N)nc(N)c3C#N)n(-c3ccccc3)c(=O)c12)N1CCCC1 Show InChI InChI=1S/C28H31N9O/c1-17(36-13-6-7-14-36)15-19-9-8-12-22-23(19)27(38)37(20-10-4-3-5-11-20)26(33-22)18(2)32-25-21(16-29)24(30)34-28(31)35-25/h3-5,8-12,17-18H,6-7,13-15H2,1-2H3,(H5,30,31,32,34,35)/t17-,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500263 (US11021467, Compound 122) Show SMILES CS(=O)(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r| Show InChI InChI=1S/C22H25ClN8O3S/c1-35(33,34)10-3-2-9-31-20(27-15-6-4-5-14(23)16(15)21(31)32)17(12-7-8-12)28-19-13(11-24)18(25)29-22(26)30-19/h4-6,12,17H,2-3,7-10H2,1H3,(H5,25,26,28,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341282 (N-((3R,5S)-5-(5-chloro-3-(3,5-difluorophenyl)-4-ox...) Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1)NC(=O)C(F)F Show InChI InChI=1S/C25H18ClF4N9O2/c26-15-2-1-3-16-18(15)24(41)39(13-5-10(27)4-11(28)6-13)22(35-16)17-7-12(34-23(40)19(29)30)9-38(17)21-14(8-31)20(32)36-25(33)37-21/h1-6,12,17,19H,7,9H2,(H,34,40)(H4,32,33,36,37)/t12-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341225 ((S)-2,4-diamino-6-((1-(5-(3-(2,2-dimethylmorpholin...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOC(C)(C)C3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-30(2,3)18-38)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341279 ((S)-4-amino-6-((1-(5-chloro-4-oxo-3-phenyl-3,4-dih...) Show SMILES C[C@H](Nc1nc(F)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C21H15ClFN7O/c1-11(26-18-13(10-24)17(25)28-21(23)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H3,25,26,28,29)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198015 (US9221795, 11) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1-c1cncc(F)c1 |r| Show InChI InChI=1S/C21H18FN9O/c1-10-4-3-5-15-16(10)20(32)31(13-6-12(22)8-26-9-13)19(28-15)11(2)27-18-14(7-23)17(24)29-21(25)30-18/h3-6,8-9,11H,1-2H3,(H5,24,25,27,29,30)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341236 ((S)-4-((1-(5-(3-(2-oxa-6-azaspiro[3.4]octan-6-yl)p...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC4(COC4)C3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C30H33N9O2/c1-19(34-26-22(15-31)25(32)36-29(33)37-26)27-35-23-11-5-7-20(8-6-13-38-14-12-30(16-38)17-41-18-30)24(23)28(40)39(27)21-9-3-2-4-10-21/h2-5,7,9-11,19H,6,8,12-14,16-18H2,1H3,(H5,32,33,34,36,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198095 (BDBM198096 | US9221795, 91) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:2.2,(3.33,.38,;2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C22H21ClN10O/c1-3-13(29-19-11(8-24)18(26)31-22(27)32-19)20-30-14-6-4-5-12(23)17(14)21(34)33(20)15-9-28-16(25)7-10(15)2/h4-7,9,13H,3H2,1-2H3,(H2,25,28)(H5,26,27,29,31,32)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341235 ((S)-4-((1-(5-(3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)...) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC4(COC4)C3)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C29H31N9O2/c1-18(33-25-21(13-30)24(31)35-28(32)36-25)26-34-22-11-5-7-19(8-6-12-37-14-29(15-37)16-40-17-29)23(22)27(39)38(26)20-9-3-2-4-10-20/h2-5,7,9-11,18H,6,8,12,14-17H2,1H3,(H5,31,32,33,35,36)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM198091 (US9221795, 87) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r| Show InChI InChI=1S/C21H19ClN10O/c1-2-13(28-18-11(8-23)17(25)30-21(26)31-18)19-29-14-5-3-4-12(22)16(14)20(33)32(19)10-6-7-15(24)27-9-10/h3-7,9,13H,2H2,1H3,(H2,24,27)(H5,25,26,28,30,31)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198101 (US9221795, 97) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r| Show InChI InChI=1S/C20H17ClN10O/c1-9(27-17-11(7-22)16(24)29-20(25)30-17)18-28-13-4-2-3-12(21)15(13)19(32)31(18)10-5-6-14(23)26-8-10/h2-6,8-9H,1H3,(H2,23,26)(H5,24,25,27,29,30)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500255 (US11021467, Compound 114) Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCCC#N)n1 |r| Show InChI InChI=1S/C22H22ClN9O/c23-14-5-4-6-15-16(14)21(33)32(10-3-1-2-9-24)20(28-15)17(12-7-8-12)29-19-13(11-25)18(26)30-22(27)31-19/h4-6,12,17H,1-3,7-8,10H2,(H5,26,27,29,30,31)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198081 (BDBM198082 | US9221795, 77) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(C)c1C |r,wD:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)| Show InChI InChI=1S/C22H20ClN9O/c1-10-8-27-9-16(11(10)2)32-20(29-15-6-4-5-14(23)17(15)21(32)33)12(3)28-19-13(7-24)18(25)30-22(26)31-19/h4-6,8-9,12H,1-3H3,(H5,25,26,28,30,31)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500267 (US11021467, Compound 126) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H]1CCNC1 |r| Show InChI InChI=1S/C20H22ClN9O/c1-10(26-17-12(7-22)16(23)28-20(24)29-17)18-27-14-4-2-3-13(21)15(14)19(31)30(18)9-11-5-6-25-8-11/h2-4,10-11,25H,5-6,8-9H2,1H3,(H5,23,24,26,28,29)/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM341286 (N-((3R,5S)-5-(5-chloro-4-oxo-3-phenyl-3,4-dihydroq...) Show SMILES Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)CC1CC1 Show InChI InChI=1S/C28H26ClN9O2/c29-19-7-4-8-20-23(19)27(40)38(17-5-2-1-3-6-17)26(34-20)21-12-16(33-22(39)11-15-9-10-15)14-37(21)25-18(13-30)24(31)35-28(32)36-25/h1-8,15-16,21H,9-12,14H2,(H,33,39)(H4,31,32,35,36)/t16-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
GILEAD SCIENCES, INC. US Patent					Assay Description TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...				US Patent US9765060 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BDH
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM500192 (US11021467, Compound 49) Show SMILES Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCN)c1C#N |r| Show InChI InChI=1S/C21H23ClN8O/c1-11-13(10-24)18(29-21(25)26-11)28-17(12-6-7-12)19-27-15-5-2-4-14(22)16(15)20(31)30(19)9-3-8-23/h2,4-5,12,17H,3,6-9,23H2,1H3,(H3,25,26,28,29)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM198097 (BDBM198098 | US9221795, 93) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C21H19ClN10O/c1-9-6-15(24)27-8-14(9)32-19(29-13-5-3-4-12(22)16(13)20(32)33)10(2)28-18-11(7-23)17(25)30-21(26)31-18/h3-6,8,10H,1-2H3,(H2,24,27)(H5,25,26,28,30,31)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM500207 (US11021467, Compound 64) Show SMILES NC(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r| Show InChI InChI=1S/C22H24ClN9O2/c23-13-4-3-5-14-16(13)21(34)32(9-2-1-6-15(25)33)20(28-14)17(11-7-8-11)29-19-12(10-24)18(26)30-22(27)31-19/h3-5,11,17H,1-2,6-9H2,(H2,25,33)(H5,26,27,29,30,31)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US11021467 (2021) BindingDB Entry DOI: 10.7270/Q2X06B63
					More data for this Ligand-Target Pair

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