Compile Data Set for Download or QSAR

Found 727 hits with Last Name = 'cushing' and Initial = 'td'   

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))	BDBM50403096 (CHEMBL2216895) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 |r| Show InChI InChI=1S/C20H16FN7/c1-12(26-19-15(10-22)18(23)24-11-25-19)20-27-16-8-7-13(21)9-17(16)28(20)14-5-3-2-4-6-14/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403075 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403074 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.576	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50403100 (CHEMBL2216891 | US8765940, 4-(3,3-dimethyl-6-(4-mo...) Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C31H32F2N4O3S/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36/h6-7,12-16H,8-11,17H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.05	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403100 (CHEMBL2216891 | US8765940, 4-(3,3-dimethyl-6-(4-mo...) Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C31H32F2N4O3S/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36/h6-7,12-16H,8-11,17H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124797 (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-morph...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCC1=O Show InChI InChI=1S/C28H29F2N5O3/c1-17-25(24-20(30)12-18(29)13-21(24)32-27(17)34-5-2-23(34)36)35-16-28(3-8-37-9-4-28)26-22(35)14-19(15-31-26)33-6-10-38-11-7-33/h12-15H,2-11,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.27	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124781 (US8765940, 1-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCS(=O)(=O)CC2)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C31H31FN4O3S/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-16-40(37,38)17-10-31)25-8-6-23(19-28(25)36)35-12-14-39-15-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.37	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124778 (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-m...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CC(C)(C)CCC1=O Show InChI InChI=1S/C32H37F2N5O3/c1-20-28(27-23(34)14-21(33)15-24(27)36-30(20)39-18-31(2,3)5-4-26(39)40)38-19-32(6-10-41-11-7-32)29-25(38)16-22(17-35-29)37-8-12-42-13-9-37/h14-17H,4-13,18-19H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.49	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124765 (US8765940, 1'-(5,7-difluoro-3-methyl-2-(5-meth...) Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C33H34F2N4O4S/c1-20-4-5-28(44(3,40)41)24(14-20)30-21(2)31(29-25(35)15-22(34)16-26(29)37-30)39-19-33(6-10-42-11-7-33)32-27(39)17-23(18-36-32)38-8-12-43-13-9-38/h4-5,14-18H,6-13,19H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.51	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124764 (US8765940, 2-(2,2-dimethyl-4-morpholinyl)-4-(3,3-d...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)N1CCOC(C)(C)C1 Show InChI InChI=1S/C29H35F2N5O2/c1-18-25(36-16-28(2,3)26-23(36)14-20(15-32-26)34-6-9-37-10-7-34)24-21(31)12-19(30)13-22(24)33-27(18)35-8-11-38-29(4,5)17-35/h12-15H,6-11,16-17H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.52	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124749 (US8765940, 1-(4-(3,3-dimethyl-6-(4-morpholinyl)-2,...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)N1CCCC1=O Show InChI InChI=1S/C27H29F2N5O2/c1-16-24(23-19(29)11-17(28)12-20(23)31-26(16)33-6-4-5-22(33)35)34-15-27(2,3)25-21(34)13-18(14-30-25)32-7-9-36-10-8-32/h11-14H,4-10,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.54	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124759 (US8765940, 1-(7-fluoro-3-methyl-4-(6'-(4-morph...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCCCC1=O Show InChI InChI=1S/C30H34FN5O3/c1-20-27(23-6-5-21(31)16-24(23)33-29(20)35-9-3-2-4-26(35)37)36-19-30(7-12-38-13-8-30)28-25(36)17-22(18-32-28)34-10-14-39-15-11-34/h5-6,16-18H,2-4,7-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.62	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124767 (US8765940, 1-(7-fluoro-3-methyl-2-(4-methyl-2-pyri...) Show SMILES Cc1ccnc(c1)-c1nc2cc(F)ccc2c(N2CCS(=O)(=O)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C27H26FN5O3S/c1-17-5-6-29-23(13-17)25-18(2)26(21-4-3-19(28)14-22(21)31-25)33-9-12-37(34,35)27-24(33)15-20(16-30-27)32-7-10-36-11-8-32/h3-6,13-16H,7-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.96	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124766 (US8765940, 1-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C26H24FN5O3S/c1-17-24(21-4-2-3-7-28-21)30-22-14-18(27)5-6-20(22)25(17)32-10-13-36(33,34)26-23(32)15-19(16-29-26)31-8-11-35-12-9-31/h2-7,14-16H,8-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.22	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124799 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(nc2ncccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1cncc(F)c1 Show InChI InChI=1S/C27H27FN6O/c1-17-23(18-11-19(28)14-29-13-18)32-26-21(5-4-6-30-26)24(17)34-16-27(2,3)25-22(34)12-20(15-31-25)33-7-9-35-10-8-33/h4-6,11-15H,7-10,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.24	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403099 (CHEMBL2216892) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124798 (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-morph...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CC(C)(C)CC1=O Show InChI InChI=1S/C31H35F2N5O3/c1-19-27(26-22(33)12-20(32)13-23(26)35-29(19)38-17-30(2,3)15-25(38)39)37-18-31(4-8-40-9-5-31)28-24(37)14-21(16-34-28)36-6-10-41-11-7-36/h12-14,16H,4-11,15,17-18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124783 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(nc2ncccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1cccc(F)c1 Show InChI InChI=1S/C28H28FN5O/c1-18-24(19-6-4-7-20(29)14-19)32-27-22(8-5-9-30-27)25(18)34-17-28(2,3)26-23(34)15-21(16-31-26)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124743 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES COc1cccc(Cc2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(cc34)N3CCOCC3)c2C)c1 Show InChI InChI=1S/C31H32F2N4O2/c1-19-25(13-20-6-5-7-23(12-20)38-4)35-26-15-21(32)14-24(33)28(26)29(19)37-18-31(2,3)30-27(37)16-22(17-34-30)36-8-10-39-11-9-36/h5-7,12,14-17H,8-11,13,18H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.34	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124775 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1ccnc(c1)-c1nc2ncccc2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C28H30N6O/c1-18-7-9-29-22(14-18)24-19(2)25(21-6-5-8-30-27(21)32-24)34-17-28(3,4)26-23(34)15-20(16-31-26)33-10-12-35-13-11-33/h5-9,14-16H,10-13,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.36	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124758 (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-morph...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCCC1=O Show InChI InChI=1S/C29H31F2N5O3/c1-18-26(25-21(31)13-19(30)14-22(25)33-28(18)35-6-2-3-24(35)37)36-17-29(4-9-38-10-5-29)27-23(36)15-20(16-32-27)34-7-11-39-12-8-34/h13-16H,2-12,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.36	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124676 (US8765940, 4-(1-(7-fluoro-3-methyl-2-(2-(methylsul...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C30H27FN6O2S/c1-17-26(21-7-5-6-8-25(21)40(4,38)39)35-23-14-19(31)9-10-20(23)27(17)37-16-30(2,3)28-24(37)13-18(15-34-28)22-11-12-33-29(32)36-22/h5-15H,16H2,1-4H3,(H2,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.44	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124734 (US8765940, 3-((4-(3,3-dimethyl-6-(4-morpholinyl)-2...) Show SMILES Cc1c(Cc2cccc(c2)C#N)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C31H29F2N5O/c1-19-25(12-20-5-4-6-21(11-20)16-34)36-26-14-22(32)13-24(33)28(26)29(19)38-18-31(2,3)30-27(38)15-23(17-35-30)37-7-9-39-10-8-37/h4-6,11,13-15,17H,7-10,12,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.68	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124757 (US8765940, 1'-(8-chloro-2,3-dimethyl-4-quinoli...) Show SMILES Cc1nc2c(Cl)cccc2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C26H29ClN4O2/c1-17-18(2)29-23-20(4-3-5-21(23)27)24(17)31-16-26(6-10-32-11-7-26)25-22(31)14-19(15-28-25)30-8-12-33-13-9-30/h3-5,14-15H,6-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.68	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124779 (US8765940, tert-butyl 4-(5,7-difluoro-3-methyl-4-(...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H42F2N6O4/c1-22-29(42-21-34(5-13-44-14-6-34)30-27(42)19-24(20-37-30)39-11-15-45-16-12-39)28-25(36)17-23(35)18-26(28)38-31(22)40-7-9-41(10-8-40)32(43)46-33(2,3)4/h17-20H,5-16,21H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124731 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C31H29F2N5O/c1-18-28(22-5-4-6-24-21(22)7-8-34-24)36-25-14-19(32)13-23(33)27(25)29(18)38-17-31(2,3)30-26(38)15-20(16-35-30)37-9-11-39-12-10-37/h4-8,13-16,34H,9-12,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.77	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124732 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(Cc2cccc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C30H29F3N4O/c1-18-24(12-19-5-4-6-20(31)11-19)35-25-14-21(32)13-23(33)27(25)28(18)37-17-30(2,3)29-26(37)15-22(16-34-29)36-7-9-38-10-8-36/h4-6,11,13-16H,7-10,12,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.87	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124728 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)C(=C)c1ccccc1 Show InChI InChI=1S/C31H30F2N4O/c1-19(21-8-6-5-7-9-21)28-20(2)29(27-24(33)14-22(32)15-25(27)35-28)37-18-31(3,4)30-26(37)16-23(17-34-30)36-10-12-38-13-11-36/h5-9,14-17H,1,10-13,18H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403101 (CHEMBL2216890) Show SMILES Cc1c(Nc2cc(cnc2-c2ccc(O)cc2)N2CCOCC2)c2c(F)cc(F)cc2nc1-c1ccccn1 Show InChI InChI=1S/C30H25F2N5O2/c1-18-28(24-4-2-3-9-33-24)35-25-15-20(31)14-23(32)27(25)29(18)36-26-16-21(37-10-12-39-13-11-37)17-34-30(26)19-5-7-22(38)8-6-19/h2-9,14-17,38H,10-13H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403085 (CHEMBL2216848) Show SMILES CCOC(=O)CCNC(=O)Nc1nc2CCN(Cc2s1)c1cnc(Cl)c(OC)c1 Show InChI InChI=1S/C18H22ClN5O4S/c1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11/h8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396616 (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay				J Med Chem 55: 7667-85 (2012) Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124747 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1cncc(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C29H29F2N5O/c1-17-9-19(14-32-13-17)26-18(2)27(25-22(31)10-20(30)11-23(25)34-26)36-16-29(3,4)28-24(36)12-21(15-33-28)35-5-7-37-8-6-35/h9-15H,5-8,16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403083 (CHEMBL2216850) Show SMILES CCN(CC)C(=O)c1cccc(Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)n1 Show InChI InChI=1S/C23H23N5O2S/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16/h6-14H,4-5H2,1-3H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124777 (US8765940, methyl 4-(5,7-difluoro-3-methyl-4-(6...) Show SMILES COC(=O)N1CCN(CC1)c1nc2cc(F)cc(F)c2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C31H36F2N6O4/c1-20-27(26-23(33)15-21(32)16-24(26)35-29(20)37-5-7-38(8-6-37)30(40)41-2)39-19-31(3-11-42-12-4-31)28-25(39)17-22(18-34-28)36-9-13-43-14-10-36/h15-18H,3-14,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.11	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124742 (US8765940, 1-(4-(3,3-dimethyl-6-(4-morpholinyl)-2,...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)N1CCCCC1=O Show InChI InChI=1S/C28H31F2N5O2/c1-17-25(24-20(30)12-18(29)13-21(24)32-27(17)34-7-5-4-6-23(34)36)35-16-28(2,3)26-22(35)14-19(15-31-26)33-8-10-37-11-9-33/h12-15H,4-11,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.14	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124796 (US8765940, 4-(5,7-difluoro-3-methyl-4-(6'-(4-morph...) Show SMILES CNC(=O)N1CCN(CC1)c1nc2cc(F)cc(F)c2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C31H37F2N7O3/c1-20-27(26-23(33)15-21(32)16-24(26)36-29(20)38-5-7-39(8-6-38)30(41)34-2)40-19-31(3-11-42-12-4-31)28-25(40)17-22(18-35-28)37-9-13-43-14-10-37/h15-18H,3-14,19H2,1-2H3,(H,34,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.16	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124727 (US8765940, 2-benzyl-4-(3,3-dimethyl-6-(4-morpholin...) Show SMILES Cc1c(Cc2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C30H30F2N4O/c1-19-24(13-20-7-5-4-6-8-20)34-25-15-21(31)14-23(32)27(25)28(19)36-18-30(2,3)29-26(36)16-22(17-33-29)35-9-11-37-12-10-35/h4-8,14-17H,9-13,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396616 (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.32	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124683 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(nc2cccc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-8-4-5-10-30-22)32-21-9-6-7-20(29)24(21)26(18)34-17-28(2,3)27-23(34)15-19(16-31-27)33-11-13-35-14-12-33/h4-10,15-16H,11-14,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.33	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124667 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1ncccc1-c1nc2cc(F)ccc2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C29H30FN5O/c1-18-26(22-6-5-9-31-19(22)2)33-24-14-20(30)7-8-23(24)27(18)35-17-29(3,4)28-25(35)15-21(16-32-28)34-10-12-36-13-11-34/h5-9,14-16H,10-13,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.07	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124688 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1ccc(F)c2c(N3CC(C)(C)c4ncc(cc34)N3CCOCC3)c(C)c(nc12)-c1ccccn1 Show InChI InChI=1S/C29H30FN5O/c1-18-8-9-21(30)24-25(18)33-26(22-7-5-6-10-31-22)19(2)27(24)35-17-29(3,4)28-23(35)15-20(16-32-28)34-11-13-36-14-12-34/h5-10,15-16H,11-14,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.07	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124741 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1ccnc(c1)-c1nc2cc(F)ccc2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C29H30FN5O/c1-18-7-8-31-24(13-18)26-19(2)27(22-6-5-20(30)14-23(22)33-26)35-17-29(3,4)28-25(35)15-21(16-32-28)34-9-11-36-12-10-34/h5-8,13-16H,9-12,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.17	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124786 (US8765940, 1'-(3-methyl-2-phenyl-1,8-naphthyri...) Show SMILES Cc1c(nc2ncccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C30H31N5O2/c1-21-26(22-6-3-2-4-7-22)33-29-24(8-5-11-31-29)27(21)35-20-30(9-14-36-15-10-30)28-25(35)18-23(19-32-28)34-12-16-37-17-13-34/h2-8,11,18-19H,9-10,12-17,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.36	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124675 (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...) Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C31H32FN3O3S/c1-20-29(24-7-5-6-8-28(24)39(4,36)37)33-26-17-21(32)9-11-23(26)30(20)35-19-31(2,3)25-12-10-22(18-27(25)35)34-13-15-38-16-14-34/h5-12,17-18H,13-16,19H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.43	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124755 (US8765940, 1'-(5,7-difluoro-3-methyl-2-(2-(met...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C32H32F2N4O4S/c1-20-29(23-5-3-4-6-27(23)43(2,39)40)36-25-16-21(33)15-24(34)28(25)30(20)38-19-32(7-11-41-12-8-32)31-26(38)17-22(18-35-31)37-9-13-42-14-10-37/h3-6,15-18H,7-14,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.51	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124756 (US8765940, 1-(5,7-difluoro-3-methyl-4-(6-(4-morpho...) Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ccc(cc12)N1CCOCC1)-n1ccccc1=O Show InChI InChI=1S/C31H30F2N4O3/c1-20-29(28-24(33)16-21(32)17-25(28)34-30(20)36-9-3-2-4-27(36)38)37-19-31(7-12-39-13-8-31)23-6-5-22(18-26(23)37)35-10-14-40-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.64	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403076 (CHEMBL2216901) Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C26H32N6OS/c1-30(2)18-7-10-31(11-8-18)17-19-16-23-24(34-19)26(32-12-14-33-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403098 (CHEMBL2216893 | US8754089, 4-amino-6-(((1S)-1-(6-m...) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-17-28-19(14(2)27-21-16(11-23)20(24)25-12-26-21)18(22(30)29(13)17)15-8-4-3-5-9-15/h3-10,12,14H,1-2H3,(H3,24,25,26,27)/t14-/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	5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8754089 (2014) BindingDB Entry DOI: 10.7270/Q2ZW1JMB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403098 (CHEMBL2216893 | US8754089, 4-amino-6-(((1S)-1-(6-m...) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-17-28-19(14(2)27-21-16(11-23)20(24)25-12-26-21)18(22(30)29(13)17)15-8-4-3-5-9-15/h3-10,12,14H,1-2H3,(H3,24,25,26,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM124761 (US8765940, 1'-(7-fluoro-3-methyl-2-(4-methyl-2...) Show SMILES Cc1ccnc(c1)-c1nc2cc(F)ccc2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C31H32FN5O2/c1-20-5-8-33-26(15-20)28-21(2)29(24-4-3-22(32)16-25(24)35-28)37-19-31(6-11-38-12-7-31)30-27(37)17-23(18-34-30)36-9-13-39-14-10-36/h3-5,8,15-18H,6-7,9-14,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.19	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amgen Inc. US Patent					Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...				US Patent US8765940 (2014) BindingDB Entry DOI: 10.7270/Q2WW7G94
					More data for this Ligand-Target Pair

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