Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'mateo' and Initial = 'g'   

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 alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243194 (CHEMBL4097194) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C24H23N7O4S/c25-36(33,34)19-9-7-18(8-10-19)28-24(32)27-17-5-3-16(4-6-17)22-29-20-2-1-11-26-21(20)23(30-22)31-12-14-35-15-13-31/h1-11H,12-15H2,(H2,25,33,34)(H2,27,28,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243144 (CHEMBL4065928) Show SMILES CNC1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C31H39N9O4/c1-32-24-10-12-38(13-11-24)28(41)23-4-8-26(9-5-23)34-31(42)33-25-6-2-22(3-7-25)27-35-29(39-14-18-43-19-15-39)37-30(36-27)40-16-20-44-21-17-40/h2-9,24,32H,10-21H2,1H3,(H2,33,34,42)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388111 (CHEMBL2058163) Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243339 (CHEMBL4089494) Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-27-25(34)18-6-10-20(11-7-18)30-26(35)29-19-8-4-17(5-9-19)23-31-21-3-2-12-28-22(21)24(32-23)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,27,34)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243193 (CHEMBL4060651) Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-17(34)28-19-8-10-21(11-9-19)30-26(35)29-20-6-4-18(5-7-20)24-31-22-3-2-12-27-23(22)25(32-24)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,28,34)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243292 (CHEMBL4092587) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1 Show InChI InChI=1S/C24H22N6O2/c31-24(26-18-5-2-1-3-6-18)27-19-10-8-17(9-11-19)22-28-20-7-4-12-25-21(20)23(29-22)30-13-15-32-16-14-30/h1-12H,13-16H2,(H2,26,27,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388109 (CHEMBL2058165) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243304 (CHEMBL4104902) Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H25N9O4S/c26-24(27)33-39(36,37)19-9-7-18(8-10-19)30-25(35)29-17-5-3-16(4-6-17)22-31-20-2-1-11-28-21(20)23(32-22)34-12-14-38-15-13-34/h1-11H,12-15H2,(H4,26,27,33)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561775 (CHEMBL4792696) Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243145 (CHEMBL3109141) Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561773 (CHEMBL4751330) Show SMILES OCCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243144 (CHEMBL4065928) Show SMILES CNC1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C31H39N9O4/c1-32-24-10-12-38(13-11-24)28(41)23-4-8-26(9-5-23)34-31(42)33-25-6-2-22(3-7-25)27-35-29(39-14-18-43-19-15-39)37-30(36-27)40-16-20-44-21-17-40/h2-9,24,32H,10-21H2,1H3,(H2,33,34,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243176 (CHEMBL4081617) Show SMILES CCOC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C27H26N6O4/c1-2-37-26(34)19-7-11-21(12-8-19)30-27(35)29-20-9-5-18(6-10-20)24-31-22-4-3-13-28-23(22)25(32-24)33-14-16-36-17-15-33/h3-13H,2,14-17H2,1H3,(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388111 (CHEMBL2058163) Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243146 (CHEMBL4102783) Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H26N6O3/c33-15-11-18-3-7-20(8-4-18)28-26(34)29-21-9-5-19(6-10-21)24-30-22-2-1-12-27-23(22)25(31-24)32-13-16-35-17-14-32/h1-10,12,33H,11,13-17H2,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561771 (CHEMBL4764755) Show SMILES OCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561776 (CHEMBL4759291) Show SMILES CNC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243195 (CHEMBL4079178) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H25N7O4S/c1-37(34,35)31-20-10-8-19(9-11-20)28-25(33)27-18-6-4-17(5-7-18)23-29-21-3-2-12-26-22(21)24(30-23)32-13-15-36-16-14-32/h2-12,31H,13-16H2,1H3,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243313 (CHEMBL4103534) Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-17(34)28-19-8-10-21(11-9-19)30-26(35)29-20-6-4-18(5-7-20)23-31-24-22(3-2-12-27-24)25(32-23)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,28,34)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388108 (CHEMBL2058166) Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243196 (CHEMBL4087043) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C27H24N8O4S2/c36-26(31-20-7-9-21(10-8-20)41(37,38)34-27-29-12-17-40-27)30-19-5-3-18(4-6-19)24-32-22-2-1-11-28-23(22)25(33-24)35-13-15-39-16-14-35/h1-12,17H,13-16H2,(H,29,34)(H2,30,31,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50429701 (AZD-2014 | CHEMBL2336325 | US9102670, 1ap) Show SMILES CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1	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	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243293 (CHEMBL4088235) Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H24N6O3/c1-17(33)18-4-8-20(9-5-18)28-26(34)29-21-10-6-19(7-11-21)24-30-22-3-2-12-27-23(22)25(31-24)32-13-15-35-16-14-32/h2-12H,13-16H2,1H3,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388107 (CHEMBL2058167) Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243172 (CHEMBL4059989) Show SMILES CCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C27H26N6O3/c1-2-23(34)18-5-9-20(10-6-18)29-27(35)30-21-11-7-19(8-12-21)25-31-22-4-3-13-28-24(22)26(32-25)33-14-16-36-17-15-33/h3-13H,2,14-17H2,1H3,(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561777 (CHEMBL4758082) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243230 (CHEMBL4092840) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C29H26N8O4S/c38-29(33-22-10-12-23(13-11-22)42(39,40)36-25-5-1-2-14-30-25)32-21-8-6-20(7-9-21)27-34-24-4-3-15-31-26(24)28(35-27)37-16-18-41-19-17-37/h1-15H,16-19H2,(H,30,36)(H2,32,33,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243304 (CHEMBL4104902) Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H25N9O4S/c26-24(27)33-39(36,37)19-9-7-18(8-10-19)30-25(35)29-17-5-3-16(4-6-17)22-31-20-2-1-11-28-21(20)23(32-22)34-12-14-38-15-13-34/h1-11H,12-15H2,(H4,26,27,33)(H2,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243251 (CHEMBL4088056) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C25H25N7O4S/c1-37(34,35)31-20-10-8-19(9-11-20)28-25(33)27-18-6-4-17(5-7-18)22-29-23-21(3-2-12-26-23)24(30-22)32-13-15-36-16-14-32/h2-12,31H,13-16H2,1H3,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243248 (CHEMBL4102715) Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H26N6O3/c33-15-11-18-3-7-20(8-4-18)28-26(34)29-21-9-5-19(6-10-21)23-30-24-22(2-1-12-27-24)25(31-23)32-13-16-35-17-14-32/h1-10,12,33H,11,13-17H2,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388110 (CHEMBL2058164) Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243143 (CHEMBL3109142) Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436459 (CHEMBL2396661) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kalpha (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243296 (CHEMBL4065878) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1 Show InChI InChI=1S/C24H22N6O2/c31-24(26-18-5-2-1-3-6-18)27-19-10-8-17(9-11-19)21-28-22-20(7-4-12-25-22)23(29-21)30-13-15-32-16-14-30/h1-12H,13-16H2,(H2,26,27,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243249 (CHEMBL4079272) Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-27-25(34)18-6-10-20(11-7-18)30-26(35)29-19-8-4-17(5-9-19)22-31-23-21(3-2-12-28-23)24(32-22)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,27,34)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243246 (CHEMBL4064842) Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)22-29-23-21(2-1-11-26-23)24(30-22)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243314 (CHEMBL4087157) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C24H23N7O4S/c25-36(33,34)19-9-7-18(8-10-19)28-24(32)27-17-5-3-16(4-6-17)21-29-22-20(2-1-11-26-22)23(30-21)31-12-14-35-15-13-31/h1-11H,12-15H2,(H2,25,33,34)(H2,27,28,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561778 (CHEMBL4793846) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561772 (CHEMBL4748452) Show SMILES OCc1cccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243247 (CHEMBL4092544) Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)22-29-23-21(5-2-10-26-23)24(30-22)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388109 (CHEMBL2058165) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					More data for this Ligand-Target Pair

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