Compile Data Set for Download or QSAR

Found 1376 hits of ic50 data for complexid = 74   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50204093 (BAY 80-6946 | BAY-80-6946 | Copanlisib) Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514593 (CHEMBL4470122) Show SMILES COCCc1nnc(o1)-c1cnc2ccc(cn12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H20F2N6O5S/c1-35-8-7-22-29-30-24(37-22)19-12-27-21-6-3-14(13-32(19)21)15-9-18(23(36-2)28-11-15)31-38(33,34)20-5-4-16(25)10-17(20)26/h3-6,9-13,31H,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514596 (CHEMBL4455710) Show SMILES COC(=O)c1ccccc1-n1cc(CNC(=O)c2cnc3ccc(cn23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)nn1 Show InChI InChI=1S/C31H24F2N8O6S/c1-46-30-24(38-48(44,45)27-9-8-20(32)12-23(27)33)11-19(13-36-30)18-7-10-28-34-15-26(40(28)16-18)29(42)35-14-21-17-41(39-37-21)25-6-4-3-5-22(25)31(43)47-2/h3-13,15-17,38H,14H2,1-2H3,(H,35,42)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514597 (CHEMBL4475217) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(o3)-c3cccc(c3)C(O)=O)n2c1 Show InChI InChI=1S/C28H18F2N6O6S/c1-41-26-21(35-43(39,40)23-7-6-19(29)11-20(23)30)10-18(12-32-26)17-5-8-24-31-13-22(36(24)14-17)27-34-33-25(42-27)15-3-2-4-16(9-15)28(37)38/h2-14,35H,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514590 (CHEMBL4440406) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1 Show InChI InChI=1S/C28H28F2N8O4S/c1-36-9-11-37(12-10-36)8-7-26-33-34-28(42-26)23-16-31-25-6-3-18(17-38(23)25)19-13-22(27(41-2)32-15-19)35-43(39,40)24-5-4-20(29)14-21(24)30/h3-6,13-17,35H,7-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514595 (CHEMBL4516974) Show SMILES COc1ccccc1-n1cc(CNC(=O)c2cnc3ccc(cn23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)nn1 Show InChI InChI=1S/C30H24F2N8O5S/c1-44-26-6-4-3-5-24(26)40-17-21(36-38-40)14-34-29(41)25-15-33-28-10-7-18(16-39(25)28)19-11-23(30(45-2)35-13-19)37-46(42,43)27-9-8-20(31)12-22(27)32/h3-13,15-17,37H,14H2,1-2H3,(H,34,41)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514589 (CHEMBL4534475) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(nn3)-c3ccccc3O)n2c1 Show InChI InChI=1S/C29H22F2N8O5S/c1-44-29-22(36-45(42,43)26-8-7-19(30)11-21(26)31)10-18(12-34-29)17-6-9-27-32-14-24(38(27)15-17)28(41)33-13-20-16-39(37-35-20)23-4-2-3-5-25(23)40/h2-12,14-16,36,40H,13H2,1H3,(H,33,41)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514588 (CHEMBL4439080) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1 Show InChI InChI=1S/C28H28ClFN8O4S/c1-36-9-11-37(12-10-36)8-7-26-33-34-28(42-26)23-16-31-25-6-3-18(17-38(23)25)19-13-22(27(41-2)32-15-19)35-43(39,40)24-5-4-20(29)14-21(24)30/h3-6,13-17,35H,7-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514599 (CHEMBL4437362) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(C)o3)n2c1 Show InChI InChI=1S/C22H16F2N6O4S/c1-12-27-28-22(34-12)18-10-25-20-6-3-13(11-30(18)20)14-7-17(21(33-2)26-9-14)29-35(31,32)19-5-4-15(23)8-16(19)24/h3-11,29H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514591 (CHEMBL4577573) Show SMILES CN1CCN(CCc2nnc(o2)-c2cnc3ccc(cn23)-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 Show InChI InChI=1S/C27H25ClF2N8O3S/c1-36-8-10-37(11-9-36)7-6-25-33-34-27(41-25)22-15-31-24-5-2-17(16-38(22)24)18-12-21(26(28)32-14-18)35-42(39,40)23-4-3-19(29)13-20(23)30/h2-5,12-16,35H,6-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514592 (CHEMBL4580837) Show SMILES CCc1nnc(o1)-c1cnc2ccc(cn12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C23H18F2N6O4S/c1-3-21-28-29-23(35-21)18-11-26-20-7-4-13(12-31(18)20)14-8-17(22(34-2)27-10-14)30-36(32,33)19-6-5-15(24)9-16(19)25/h4-12,30H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514601 (CHEMBL4444638) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(nn3)-c3ccccc3C(N)=O)n2c1 Show InChI InChI=1S/C30H23F2N9O5S/c1-46-30-23(38-47(44,45)26-8-7-19(31)11-22(26)32)10-18(12-36-30)17-6-9-27-34-14-25(40(27)15-17)29(43)35-13-20-16-41(39-37-20)24-5-3-2-4-21(24)28(33)42/h2-12,14-16,38H,13H2,1H3,(H2,33,42)(H,35,43)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514602 (CHEMBL4449613) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1 Show InChI InChI=1S/C28H29N9O6S/c1-34-11-13-35(14-12-34)10-9-26-31-32-28(43-26)24-17-29-25-8-3-19(18-36(24)25)20-15-23(27(42-2)30-16-20)33-44(40,41)22-6-4-21(5-7-22)37(38)39/h3-8,15-18,33H,9-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50456923 (CHEMBL4213353) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1 Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514598 (CHEMBL4536505) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3cn(CCCN4CCOCC4)nn3)n2c1 Show InChI InChI=1S/C28H28F2N8O4S/c1-41-28-23(34-43(39,40)26-5-4-21(29)14-22(26)30)13-20(15-32-28)19-3-6-27-31-16-25(38(27)17-19)24-18-37(35-33-24)8-2-7-36-9-11-42-12-10-36/h3-6,13-18,34H,2,7-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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))	BDBM50514600 (CHEMBL4441605) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(CCN4CCN(C)CC4)nn3)n2c1 Show InChI InChI=1S/C30H32F2N10O4S/c1-39-7-9-40(10-8-39)11-12-41-19-23(36-38-41)16-34-29(43)26-17-33-28-6-3-20(18-42(26)28)21-13-25(30(46-2)35-15-21)37-47(44,45)27-5-4-22(31)14-24(27)32/h3-6,13-15,17-19,37H,7-12,16H2,1-2H3,(H,34,43)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				J Med Chem 63: 3028-3046 (2020) Article DOI: 10.1021/acs.jmedchem.9b01736 BindingDB Entry DOI: 10.7270/Q2QV3QVS
					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 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))	BDBM50456923 (CHEMBL4213353) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1 Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50240320 (CHEMBL4088855) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN8O/c24-16-1-3-17(4-2-16)31-6-5-20-19(13-31)29-22-21(30-7-9-33-10-8-30)28-18(14-32(20)22)15-11-26-23(25)27-12-15/h1-4,11-12,14H,5-10,13H2,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50505302 (CHEMBL4527563 | US11534443, Example 44) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H24F2N4O5S/c1-15-20-9-16(11-23(25(20)31-14-30-15)37-19-5-7-36-8-6-19)17-10-22(26(35-2)29-13-17)32-38(33,34)24-4-3-18(27)12-21(24)28/h3-4,9-14,19,32H,5-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50182218 (CHEMBL382875 | [methyl-(7-nitro-benzo[1,2,5]oxadia...) Show SMILES COCC1OC(=O)c2coc3c2C1(C)C1=C(C2CCC(=O)C2(C)CC1OC(=O)CN(C)c1ccc([N+]([O-])=O)c2n[o+][n-]c12)C3=O |t:16| Show InChI InChI=1S/C30H28N4O11/c1-29-9-17(43-20(36)10-33(3)15-6-7-16(34(39)40)25-24(15)31-45-32-25)23-21(14(29)5-8-18(29)35)26(37)27-22-13(11-42-27)28(38)44-19(12-41-4)30(22,23)2/h6-7,11,14,17,19H,5,8-10,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York-ESF Curated by ChEMBL					Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex				Bioorg Med Chem Lett 16: 2518-21 (2006) Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z
					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))	BDBM50420737 (CHEMBL2087491) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					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))	BDBM50341410 (CHEMBL4166144 | US11534443, Example 1) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2nc(N)nc(C)c2c1 Show InChI InChI=1S/C26H25F2N5O5S/c1-14-19-9-15(11-22(24(19)32-26(29)31-14)38-18-5-7-37-8-6-18)16-10-21(25(36-2)30-13-16)33-39(34,35)23-4-3-17(27)12-20(23)28/h3-4,9-13,18,33H,5-8H2,1-2H3,(H2,29,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50505304 (CHEMBL4450219 | US11534443, Example 59) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2(C)COC2)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H24F2N4O5S/c1-15-19-6-16(8-22(24(19)31-14-30-15)37-13-26(2)11-36-12-26)17-7-21(25(35-3)29-10-17)32-38(33,34)23-5-4-18(27)9-20(23)28/h4-10,14,32H,11-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50505306 (CHEMBL4531499 | US11534443, Example 49) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2ncnc(C)c2c1 |r| Show InChI InChI=1S/C25H22F2N4O5S/c1-14-19-7-15(9-22(24(19)30-13-29-14)36-18-5-6-35-12-18)16-8-21(25(34-2)28-11-16)31-37(32,33)23-4-3-17(26)10-20(23)27/h3-4,7-11,13,18,31H,5-6,12H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50505307 (CHEMBL4554638 | US11534443, Example 58) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOC(C)(C)C2)c2ncnc(C)c2c1 Show InChI InChI=1S/C28H28F2N4O5S/c1-16-21-9-17(11-24(26(21)33-15-32-16)39-20-7-8-38-28(2,3)13-20)18-10-23(27(37-4)31-14-18)34-40(35,36)25-6-5-19(29)12-22(25)30/h5-6,9-12,14-15,20,34H,7-8,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50505316 (CHEMBL4574739 | US11534443, Example 53) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCOCC2)c2ncnc(C)c2c1 Show InChI InChI=1S/C27H26F2N4O5S/c1-16-21-9-18(11-24(26(21)32-15-31-16)38-14-17-5-7-37-8-6-17)19-10-23(27(36-2)30-13-19)33-39(34,35)25-4-3-20(28)12-22(25)29/h3-4,9-13,15,17,33H,5-8,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50505313 (CHEMBL4528382 | US11534443, Example 61) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCOC2)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H24F2N4O5S/c1-15-20-7-17(9-23(25(20)31-14-30-15)37-13-16-5-6-36-12-16)18-8-22(26(35-2)29-11-18)32-38(33,34)24-4-3-19(27)10-21(24)28/h3-4,7-11,14,16,32H,5-6,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50457170 (CHEMBL4208385) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-21(30-33(31,32)18-3-1-17(25)2-4-18)10-16(11-27-22)15-9-19-20(13-29-23(19)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457173 (CHEMBL4213317) Show SMILES Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H15ClFN5O2S/c24-22-20(30-33(31,32)21-4-2-1-3-19(21)25)10-16(11-27-22)15-9-17-18(13-29-23(17)28-12-15)14-5-7-26-8-6-14/h1-13,30H,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457159 (CHEMBL4217725) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1 Show InChI InChI=1S/C23H16ClN5O2S/c24-22-21(29-32(30,31)18-4-2-1-3-5-18)11-17(12-26-22)16-10-19-20(14-28-23(19)27-13-16)15-6-8-25-9-7-15/h1-14,29H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50457158 (CHEMBL4212775) Show SMILES Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C22H15ClN6O2S/c23-21-19(29-32(30,31)17-4-2-1-3-5-17)11-16(12-25-21)15-10-18-20(14-6-8-24-9-7-14)27-28-22(18)26-13-15/h1-13,29H,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as...				ACS Med Chem Lett 8: 875-880 (2017) Article DOI: 10.1021/acsmedchemlett.7b00222 BindingDB Entry DOI: 10.7270/Q2CR5WZT
					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))	BDBM50505305 (CHEMBL4452913 | US11534443, Example 56) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCCC2)c2ncnc(C)c2c1 Show InChI InChI=1S/C26H24F2N4O4S/c1-15-20-9-16(11-23(25(20)31-14-30-15)36-19-5-3-4-6-19)17-10-22(26(35-2)29-13-17)32-37(33,34)24-8-7-18(27)12-21(24)28/h7-14,19,32H,3-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50505315 (CHEMBL4538966 | US11534443, Example 70) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCC2)c2ncnc(C)c2c1 Show InChI InChI=1S/C25H22F2N4O4S/c1-14-19-8-15(10-22(24(19)30-13-29-14)35-18-4-3-5-18)16-9-21(25(34-2)28-12-16)31-36(32,33)23-7-6-17(26)11-20(23)27/h6-13,18,31H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM50240323 (CHEMBL4062315) Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN8O3S/c24-16-1-3-17(4-2-16)36(33,34)31-6-5-18-20(14-31)32-13-19(15-11-26-23(25)27-12-15)29-21(22(32)28-18)30-7-9-35-10-8-30/h1-4,11-13H,5-10,14H2,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					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))	BDBM50341493 (CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...) Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50505320 (CHEMBL4466982 | US11534443, Example 72) Show SMILES COc1cc(cc2c(C)ncnc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C22H18F2N4O4S/c1-12-16-6-13(8-19(31-2)21(16)27-11-26-12)14-7-18(22(32-3)25-10-14)28-33(29,30)20-5-4-15(23)9-17(20)24/h4-11,28H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...				J Med Chem 62: 8873-8879 (2019) Article DOI: 10.1021/acs.jmedchem.9b00969 BindingDB Entry DOI: 10.7270/Q2Q243JR
					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))	BDBM15234 ((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York-ESF Curated by ChEMBL					Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex				Bioorg Med Chem Lett 16: 2518-21 (2006) Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z
					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))	BDBM50240324 (CHEMBL4067552) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C25H26FN9O2/c26-18-3-1-16(2-4-18)11-30-25(36)34-6-5-21-20(14-34)32-23-22(33-7-9-37-10-8-33)31-19(15-35(21)23)17-12-28-24(27)29-13-17/h1-4,12-13,15H,5-11,14H2,(H,30,36)(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					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))	BDBM50450680 (CHEMBL4168702) Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r| Show InChI InChI=1S/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110alpha/recombinant human full length p85alpha using PIP2 as substrate preincuba...				J Med Chem 61: 9551-9567 (2018) Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ
					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))	BDBM50188959 (CHEMBL3827894) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C21H24N12O3/c1-31(21-25-9-13(10-26-21)19(34)30-35)11-14-27-15-17(32(14)2)28-16(12-7-23-20(22)24-8-12)29-18(15)33-3-5-36-6-4-33/h7-10,35H,3-6,11H2,1-2H3,(H,30,34)(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged p110 alpha/p85 alpha expressed in baculovirus expression system incubated for 1 hr by kinase-g...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					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))	BDBM50240356 (CHEMBL4094970) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN8O2/c25-17-3-1-15(2-4-17)23(34)32-6-5-20-19(13-32)30-22-21(31-7-9-35-10-8-31)29-18(14-33(20)22)16-11-27-24(26)28-12-16/h1-4,11-12,14H,5-10,13H2,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					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))	BDBM50230930 (CHEMBL4061892) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN(C)CCO)c(OC)c2c1 Show InChI InChI=1S/C27H27F2N5O6S/c1-34(8-9-35)15-25(36)32-23-14-30-21-6-4-16(10-19(21)26(23)39-2)17-11-22(27(40-3)31-13-17)33-41(37,38)24-7-5-18(28)12-20(24)29/h4-7,10-14,33,35H,8-9,15H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay				Eur J Med Chem 127: 509-520 (2017) Article DOI: 10.1016/j.ejmech.2017.01.016 BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair

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