Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for entry = 50001968   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50451184 (CHEMBL4213621) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H30F2N8O4S/c1-30(15-7-9-32(10-8-15)38(3,34)35)21-27-22(31-11-13-37-14-12-31)29-23(28-21)33-16-5-4-6-17(36-2)18(16)26-20(33)19(24)25/h4-6,15,19H,7-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451223 (CHEMBL4214500) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)S(C)(=O)=O)c2n1 Show InChI InChI=1S/C24H28F2N8O4S/c1-37-18-5-3-4-17-19(18)28-23(20(25)26)33(17)24-29-21(31-10-12-38-13-11-31)16-14-27-34(22(16)30-24)15-6-8-32(9-7-15)39(2,35)36/h3-5,14-15,20H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451217 (CHEMBL4214284) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@H](C1)N(C)S(C)(=O)=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H30F2N8O4S/c1-30(38(3,34)35)15-6-5-9-32(14-15)22-27-21(31-10-12-37-13-11-31)28-23(29-22)33-16-7-4-8-17(36-2)18(16)26-20(33)19(24)25/h4,7-8,15,19H,5-6,9-14H2,1-3H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451240 (CHEMBL4211457) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-29(37(3,33)34)14-7-8-31(13-14)21-26-20(30-9-11-36-12-10-30)27-22(28-21)32-15-5-4-6-16(35-2)17(15)25-19(32)18(23)24/h4-6,14,18H,7-13H2,1-3H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451236 (CHEMBL4208958) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CNS(C)(=O)=O)CC1)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)32-10-12-37-13-11-32)31-8-6-15(7-9-31)14-26-38(2,34)35/h3-5,15,19,26H,6-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451229 (CHEMBL4205087) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(NCC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)31-10-12-37-13-11-31)26-14-15-6-8-32(9-7-15)38(2,34)35/h3-5,15,19H,6-14H2,1-2H3,(H,26,28,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451187 (CHEMBL4214405) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@H]1CCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-29(14-7-8-31(13-14)37(3,33)34)20-26-21(30-9-11-36-12-10-30)28-22(27-20)32-15-5-4-6-16(35-2)17(15)25-19(32)18(23)24/h4-6,14,18H,7-13H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451227 (CHEMBL4211287) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(NC2CN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 Show InChI InChI=1S/C20H24F2N8O4S/c1-33-14-5-3-4-13-15(14)24-17(16(21)22)30(13)20-26-18(23-12-10-29(11-12)35(2,31)32)25-19(27-20)28-6-8-34-9-7-28/h3-5,12,16H,6-11H2,1-2H3,(H,23,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451241 (CHEMBL4202953) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@@H](C1)NS(C)(=O)=O |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)24-18(17(22)23)31(14)21-26-19(29-8-10-35-11-9-29)25-20(27-21)30-7-6-13(12-30)28-36(2,32)33/h3-5,13,17,28H,6-12H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451213 (CHEMBL4209372) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)C1CN(C1)S(C)(=O)=O Show InChI InChI=1S/C21H26F2N8O4S/c1-28(13-11-30(12-13)36(3,32)33)19-25-20(29-7-9-35-10-8-29)27-21(26-19)31-14-5-4-6-15(34-2)16(14)24-18(31)17(22)23/h4-6,13,17H,7-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451218 (CHEMBL4202608) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@H](C1)NS(C)(=O)=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-7-3-6-15-17(16)25-19(18(23)24)32(15)22-27-20(30-9-11-36-12-10-30)26-21(28-22)31-8-4-5-14(13-31)29-37(2,33)34/h3,6-7,14,18,29H,4-5,8-13H2,1-2H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451220 (CHEMBL4214798) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C22H27F2N7O4S/c1-34-16-5-3-4-15-17(16)25-20(18(23)24)31(15)22-27-19(14-6-8-30(9-7-14)36(2,32)33)26-21(28-22)29-10-12-35-13-11-29/h3-5,14,18H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451222 (CHEMBL4210391) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2nnn(C3CCN(CC3)S(C)(=O)=O)c2n1 Show InChI InChI=1S/C23H27F2N9O4S/c1-37-16-5-3-4-15-17(16)26-22(19(24)25)33(15)23-27-20(31-10-12-38-13-11-31)18-21(28-23)34(30-29-18)14-6-8-32(9-7-14)39(2,35)36/h3-5,14,19H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451244 (CHEMBL4217074) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCCC(CNS(C)(=O)=O)C1)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-7-3-6-16-18(17)27-20(19(24)25)33(16)23-29-21(31-9-11-37-12-10-31)28-22(30-23)32-8-4-5-15(14-32)13-26-38(2,34)35/h3,6-7,15,19,26H,4-5,8-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451232 (CHEMBL4212805) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)24-18(17(22)23)31(14)21-26-19(25-20(27-21)29-10-12-35-13-11-29)28-6-8-30(9-7-28)36(2,32)33/h3-5,17H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451243 (CHEMBL4216549) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC(C1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H26F2N8O4S/c1-28(36(3,32)33)13-11-30(12-13)20-25-19(29-7-9-35-10-8-29)26-21(27-20)31-14-5-4-6-15(34-2)16(14)24-18(31)17(22)23/h4-6,13,17H,7-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451182 (CHEMBL4202836) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2ncn(C3CCN(CC3)S(C)(=O)=O)c2n1 Show InChI InChI=1S/C24H28F2N8O4S/c1-37-17-5-3-4-16-18(17)28-23(20(25)26)34(16)24-29-21(31-10-12-38-13-11-31)19-22(30-24)33(14-27-19)15-6-8-32(9-7-15)39(2,35)36/h3-5,14-15,20H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451188 (CHEMBL4209459) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)nc(n1)N1CCOCC1 |r,wU:18.19,wD:21.26,(34.54,-26.24,;35.56,-27.39,;35.07,-28.85,;33.56,-29.16,;33.07,-30.62,;34.1,-31.77,;35.6,-31.47,;36.84,-32.38,;38.1,-31.49,;37.63,-30.02,;36.09,-30.01,;39.56,-31.98,;40.71,-30.96,;39.86,-33.49,;36.83,-33.92,;38.15,-34.7,;38.14,-36.24,;39.47,-37.03,;40.81,-36.27,;40.81,-34.74,;42.16,-33.98,;43.48,-34.77,;43.46,-36.31,;42.13,-37.06,;44.83,-34.01,;46.14,-34.8,;47.49,-34.05,;46.9,-36.13,;45.37,-36.12,;36.8,-37,;35.47,-36.22,;35.49,-34.68,;34.13,-36.98,;34.12,-38.52,;32.78,-39.28,;31.45,-38.49,;31.47,-36.95,;32.81,-36.2,)| Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)32-10-12-37-13-11-32)26-14-6-8-15(9-7-14)31-38(2,34)35/h3-5,14-15,19,31H,6-13H2,1-2H3,(H,26,28,29,30)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451189 (CHEMBL4217311) Show SMILES CNS(=O)(=O)C1CCN(C1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H26F2N8O4S/c1-24-36(32,33)13-6-7-30(12-13)20-26-19(29-8-10-35-11-9-29)27-21(28-20)31-14-4-3-5-15(34-2)16(14)25-18(31)17(22)23/h3-5,13,17,24H,6-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451219 (CHEMBL4209878) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCCN(C1)S(C)(=O)=O Show InChI InChI=1S/C22H27F2N7O4S/c1-34-16-7-3-6-15-17(16)25-20(18(23)24)31(15)22-27-19(14-5-4-8-30(13-14)36(2,32)33)26-21(28-22)29-9-11-35-12-10-29/h3,6-7,14,18H,4-5,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451179 (CHEMBL4204084) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)NS(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-5-3-4-15-17(16)25-19(18(23)24)32(15)22-27-20(26-21(28-22)31-10-12-36-13-11-31)30-8-6-14(7-9-30)29-37(2,33)34/h3-5,14,18,29H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451181 (CHEMBL4214087) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C22H27F2N7O4S/c1-34-16-5-3-4-15-19(16)27-21(20(23)24)31(15)22-25-17(14-18(26-22)29-10-12-35-13-11-29)28-6-8-30(9-7-28)36(2,32)33/h3-5,14,20H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451212 (CHEMBL4218781) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@@H]1CCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-29(14-7-8-31(13-14)37(3,33)34)20-26-21(30-9-11-36-12-10-30)28-22(27-20)32-15-5-4-6-16(35-2)17(15)25-19(32)18(23)24/h4-6,14,18H,7-13H2,1-3H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451214 (CHEMBL4206569) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)NS(C)(=O)=O |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)24-18(17(22)23)31(14)21-26-19(29-8-10-35-11-9-29)25-20(27-21)30-7-6-13(12-30)28-36(2,32)33/h3-5,13,17,28H,6-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451234 (CHEMBL4208423) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)N(C)C)N1CCOCC1 Show InChI InChI=1S/C22H29F2N9O4S/c1-29(2)38(34,35)32-9-7-30(8-10-32)20-26-21(31-11-13-37-14-12-31)28-22(27-20)33-15-5-4-6-16(36-3)17(15)25-19(33)18(23)24/h4-6,18H,7-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451242 (CHEMBL4214927) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@@H](C1)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-29(37(3,33)34)14-7-8-31(13-14)21-26-20(30-9-11-36-12-10-30)27-22(28-21)32-15-5-4-6-16(35-2)17(15)25-19(32)18(23)24/h4-6,14,18H,7-13H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451186 (CHEMBL4215198) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)25-18(17(22)23)31(14)21-27-19(24-13-6-7-30(12-13)36(2,32)33)26-20(28-21)29-8-10-35-11-9-29/h3-5,13,17H,6-12H2,1-2H3,(H,24,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451228 (CHEMBL4214361) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CC[C@H](CC2)NS(C)(=O)=O)nc(n1)N1CCOCC1 |r,wU:18.19,21.26,(34.54,-26.24,;35.56,-27.39,;35.07,-28.85,;33.56,-29.16,;33.07,-30.62,;34.1,-31.77,;35.6,-31.47,;36.84,-32.38,;38.1,-31.49,;37.63,-30.02,;36.09,-30.01,;39.56,-31.98,;40.71,-30.96,;39.86,-33.49,;36.83,-33.92,;38.15,-34.7,;38.14,-36.24,;39.47,-37.03,;40.81,-36.27,;40.81,-34.74,;42.16,-33.98,;43.48,-34.77,;43.46,-36.31,;42.13,-37.06,;44.83,-34.01,;46.14,-34.8,;47.49,-34.05,;46.9,-36.13,;45.37,-36.12,;36.8,-37,;35.47,-36.22,;35.49,-34.68,;34.13,-36.98,;34.12,-38.52,;32.78,-39.28,;31.45,-38.49,;31.47,-36.95,;32.81,-36.2,)| Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)32-10-12-37-13-11-32)26-14-6-8-15(9-7-14)31-38(2,34)35/h3-5,14-15,19,31H,6-13H2,1-2H3,(H,26,28,29,30)/t14-,15+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451216 (CHEMBL4206962) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@@H](C1)NS(C)(=O)=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-7-3-6-15-17(16)25-19(18(23)24)32(15)22-27-20(30-9-11-36-12-10-30)26-21(28-22)31-8-4-5-14(13-31)29-37(2,33)34/h3,6-7,14,18,29H,4-5,8-13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451247 (CHEMBL4215591) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@@H]2CCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C21H26F2N8O4S/c1-34-15-5-3-4-14-16(15)25-18(17(22)23)31(14)21-27-19(24-13-6-7-30(12-13)36(2,32)33)26-20(28-21)29-8-10-35-11-9-29/h3-5,13,17H,6-12H2,1-2H3,(H,24,26,27,28)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50451235 (CHEMBL4218280) Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H27F2N9O4S/c1-35-15-12-13(24)11-14-16(15)25-18(17(22)23)32(14)21-27-19(26-20(28-21)30-7-9-36-10-8-30)29-3-5-31(6-4-29)37(2,33)34/h11-12,17H,3-10,24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451192 (CHEMBL4212096) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(NC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-5-3-4-15-17(16)26-19(18(23)24)32(15)22-28-20(27-21(29-22)30-10-12-36-13-11-30)25-14-6-8-31(9-7-14)37(2,33)34/h3-5,14,18H,6-13H2,1-2H3,(H,25,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451237 (CHEMBL4212184) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)N(C)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-30(38(3,34)35)15-7-9-31(10-8-15)21-27-22(32-11-13-37-14-12-32)29-23(28-21)33-16-5-4-6-17(36-2)18(16)26-20(33)19(24)25/h4-6,15,19H,7-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451238 (CHEMBL4207299) Show SMILES CNS(=O)(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-25-37(33,34)14-6-8-30(9-7-14)20-27-21(31-10-12-36-13-11-31)29-22(28-20)32-15-4-3-5-16(35-2)17(15)26-19(32)18(23)24/h3-5,14,18,25H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451185 (CHEMBL4203920) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@H]1CCCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H30F2N8O4S/c1-30(15-6-5-9-32(14-15)38(3,34)35)21-27-22(31-10-12-37-13-11-31)29-23(28-21)33-16-7-4-8-17(36-2)18(16)26-20(33)19(24)25/h4,7-8,15,19H,5-6,9-14H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451225 (CHEMBL4205741) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1cc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C22H27F2N7O4S/c1-34-16-5-3-4-15-19(16)27-21(20(23)24)31(15)18-14-17(28-10-12-35-13-11-28)25-22(26-18)29-6-8-30(9-7-29)36(2,32)33/h3-5,14,20H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451180 (CHEMBL4216632) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)S(=O)(=O)N(C)C)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-30(2)38(34,35)15-7-9-31(10-8-15)21-27-22(32-11-13-37-14-12-32)29-23(28-21)33-16-5-4-6-17(36-3)18(16)26-20(33)19(24)25/h4-6,15,19H,7-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50451229 (CHEMBL4205087) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(NCC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)31-10-12-37-13-11-31)26-14-15-6-8-32(9-7-15)38(2,34)35/h3-5,15,19H,6-14H2,1-2H3,(H,26,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50451231 (CHEMBL4204532) Show SMILES CS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C20H24F2N8O3S/c1-34(31,32)29-8-6-27(7-9-29)18-24-19(28-10-12-33-13-11-28)26-20(25-18)30-15-5-3-2-4-14(15)23-17(30)16(21)22/h2-5,16H,6-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50451244 (CHEMBL4217074) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCCC(CNS(C)(=O)=O)C1)N1CCOCC1 Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-7-3-6-16-18(17)27-20(19(24)25)33(16)23-29-21(31-9-11-37-12-10-31)28-22(30-23)32-8-4-5-15(14-32)13-26-38(2,34)35/h3,6-7,15,19,26H,4-5,8-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451215 (CHEMBL4207093) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@@H](C1)N(C)S(C)(=O)=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H30F2N8O4S/c1-30(38(3,34)35)15-6-5-9-32(14-15)22-27-21(31-10-12-37-13-11-31)28-23(29-22)33-16-7-4-8-17(36-2)18(16)26-20(33)19(24)25/h4,7-8,15,19H,5-6,9-14H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451246 (CHEMBL4210145) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@@H]1CCCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H30F2N8O4S/c1-30(15-6-5-9-32(14-15)38(3,34)35)21-27-22(31-10-12-37-13-11-31)29-23(28-21)33-16-7-4-8-17(36-2)18(16)26-20(33)19(24)25/h4,7-8,15,19H,5-6,9-14H2,1-3H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451233 (CHEMBL4217752) Show SMILES CCS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C22H28F2N8O4S/c1-3-37(33,34)31-9-7-29(8-10-31)20-26-21(30-11-13-36-14-12-30)28-22(27-20)32-15-5-4-6-16(35-2)17(15)25-19(32)18(23)24/h4-6,18H,3,7-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451231 (CHEMBL4204532) Show SMILES CS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C20H24F2N8O3S/c1-34(31,32)29-8-6-27(7-9-29)18-24-19(28-10-12-33-13-11-28)26-20(25-18)30-15-5-3-2-4-14(15)23-17(30)16(21)22/h2-5,16H,6-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451235 (CHEMBL4218280) Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H27F2N9O4S/c1-35-15-12-13(24)11-14-16(15)25-18(17(22)23)32(14)21-27-19(26-20(28-21)30-7-9-36-10-8-30)29-3-5-31(6-4-29)37(2,33)34/h11-12,17H,3-10,24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451245 (CHEMBL4206996) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@@H]2CCCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-7-3-6-15-17(16)26-19(18(23)24)32(15)22-28-20(27-21(29-22)30-9-11-36-12-10-30)25-14-5-4-8-31(13-14)37(2,33)34/h3,6-7,14,18H,4-5,8-13H2,1-2H3,(H,25,27,28,29)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451211 (CHEMBL4204353) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CCCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-7-3-6-15-17(16)26-19(18(23)24)32(15)22-28-20(27-21(29-22)30-9-11-36-12-10-30)25-14-5-4-8-31(13-14)37(2,33)34/h3,6-7,14,18H,4-5,8-13H2,1-2H3,(H,25,27,28,29)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50451184 (CHEMBL4213621) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H30F2N8O4S/c1-30(15-7-9-32(10-8-15)38(3,34)35)21-27-22(31-11-13-37-14-12-31)29-23(28-21)33-16-5-4-6-17(36-2)18(16)26-20(33)19(24)25/h4-6,15,19H,7-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50451246 (CHEMBL4210145) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@@H]1CCCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H30F2N8O4S/c1-30(15-6-5-9-32(14-15)38(3,34)35)21-27-22(31-10-12-37-13-11-31)29-23(28-21)33-16-7-4-8-17(36-2)18(16)26-20(33)19(24)25/h4,7-8,15,19H,5-6,9-14H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					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))	BDBM50451221 (CHEMBL4205512) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2[nH]c(=O)n(C3CCN(CC3)S(C)(=O)=O)c2n1 Show InChI InChI=1S/C24H28F2N8O5S/c1-38-16-5-3-4-15-17(16)27-22(19(25)26)34(15)23-29-20(31-10-12-39-13-11-31)18-21(30-23)33(24(35)28-18)14-6-8-32(9-7-14)40(2,36)37/h3-5,14,19H,6-13H2,1-2H3,(H,28,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
					More data for this Ligand-Target Pair

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