Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50002571   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460052 (CHEMBL4225483) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(C)nc(NC(C)=O)nc2s1 Show InChI InChI=1S/C19H16ClN5O4S3/c1-9-12-7-14(30-18(12)24-19(22-9)23-10(2)26)11-6-13(17(29-3)21-8-11)25-32(27,28)16-5-4-15(20)31-16/h4-8,25H,1-3H3,(H,22,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460042 (CHEMBL4228946) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(NC(C)=O)nc2s1 Show InChI InChI=1S/C21H17F2N5O4S2/c1-10-14-8-17(33-20(14)27-21(25-10)26-11(2)29)12-6-16(19(32-3)24-9-12)28-34(30,31)18-5-4-13(22)7-15(18)23/h4-9,28H,1-3H3,(H,25,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460053 (CHEMBL4226082) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C19H15F2N5O3S2/c1-9-12-7-15(30-18(12)25-19(22)24-9)10-5-14(17(29-2)23-8-10)26-31(27,28)16-4-3-11(20)6-13(16)21/h3-8,26H,1-2H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460045 (CHEMBL4226926) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1nc2c(C)nc(N)nc2n(C)c1=O Show InChI InChI=1S/C20H17F2N7O4S/c1-9-15-17(27-20(23)25-9)29(2)19(30)16(26-15)10-6-13(18(33-3)24-8-10)28-34(31,32)14-5-4-11(21)7-12(14)22/h4-8,28H,1-3H3,(H2,23,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460047 (CHEMBL4226602) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C17H14ClN5O3S3/c1-8-10-6-12(27-16(10)22-17(19)21-8)9-5-11(15(26-2)20-7-9)23-29(24,25)14-4-3-13(18)28-14/h3-7,23H,1-2H3,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460050 (CHEMBL4225608) Show SMILES CCCC(=O)Nc1nc(C)c2cc(sc2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C23H21F2N5O4S2/c1-4-5-20(31)28-23-27-12(2)15-10-18(35-22(15)29-23)13-8-17(21(34-3)26-11-13)30-36(32,33)19-7-6-14(24)9-16(19)25/h6-11,30H,4-5H2,1-3H3,(H,27,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460051 (CHEMBL4225722) Show SMILES CNc1nc(C)c2cc(sc2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C20H17F2N5O3S2/c1-10-13-8-16(31-19(13)26-20(23-2)25-10)11-6-15(18(30-3)24-9-11)27-32(28,29)17-5-4-12(21)7-14(17)22/h4-9,27H,1-3H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50447620 (CHEMBL3112718) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)nc(C)c2c1 Show InChI InChI=1S/C20H16F2N6O3S/c1-10-14-5-11(8-24-18(14)27-20(23)26-10)12-6-16(19(31-2)25-9-12)28-32(29,30)17-4-3-13(21)7-15(17)22/h3-9,28H,1-2H3,(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460055 (CHEMBL4227858) Show SMILES CCC(=O)Nc1nc(C)c2cc(sc2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C22H19F2N5O4S2/c1-4-19(30)27-22-26-11(2)14-9-17(34-21(14)28-22)12-7-16(20(33-3)25-10-12)29-35(31,32)18-6-5-13(23)8-15(18)24/h5-10,29H,4H2,1-3H3,(H,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460046 (CHEMBL4225799) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C19H16FN5O3S2/c1-10-14-8-16(29-18(14)24-19(21)23-10)11-7-15(17(28-2)22-9-11)25-30(26,27)13-5-3-12(20)4-6-13/h3-9,25H,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460048 (CHEMBL4227319) Show SMILES Cc1nc(N)nc2sc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C18H13ClFN5O2S2/c1-9-13-7-15(28-17(13)24-18(21)23-9)10-6-14(16(19)22-8-10)25-29(26,27)12-4-2-11(20)3-5-12/h2-8,25H,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460057 (CHEMBL4226543) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(NC(=O)C3CC3)nc2s1 Show InChI InChI=1S/C23H19F2N5O4S2/c1-11-15-9-18(35-22(15)29-23(27-11)28-20(31)12-3-4-12)13-7-17(21(34-2)26-10-13)30-36(32,33)19-6-5-14(24)8-16(19)25/h5-10,12,30H,3-4H2,1-2H3,(H,27,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460041 (CHEMBL4225819) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(N)nc2n(C)c1=O Show InChI InChI=1S/C21H18F2N6O4S/c1-10-13-8-14(20(30)29(2)18(13)27-21(24)26-10)11-6-16(19(33-3)25-9-11)28-34(31,32)17-5-4-12(22)7-15(17)23/h4-9,28H,1-3H3,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460043 (CHEMBL4225944) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C14H15N5O3S2/c1-7-9-5-11(23-13(9)18-14(15)17-7)8-4-10(19-24(3,20)21)12(22-2)16-6-8/h4-6,19H,1-3H3,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460049 (CHEMBL4228112) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C19H15F2N5O2S2/c1-9-13-7-16(29-18(13)25-19(22)24-9)11-5-15(10(2)23-8-11)26-30(27,28)17-4-3-12(20)6-14(17)21/h3-8,26H,1-2H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460054 (CHEMBL4226683) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2c(C)nc(NC(C)=O)nc2s1 Show InChI InChI=1S/C16H17N5O4S2/c1-8-11-6-13(26-15(11)20-16(18-8)19-9(2)22)10-5-12(21-27(4,23)24)14(25-3)17-7-10/h5-7,21H,1-4H3,(H,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460056 (CHEMBL4228422) Show SMILES COc1ncc(cc1NS(=O)(=O)C1CC1)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C16H17N5O3S2/c1-8-11-6-13(25-15(11)20-16(17)19-8)9-5-12(14(24-2)18-7-9)21-26(22,23)10-3-4-10/h5-7,10,21H,3-4H2,1-2H3,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460044 (CHEMBL4226663) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(N)nc2[nH]c1=O Show InChI InChI=1S/C20H16F2N6O4S/c1-9-12-7-13(18(29)26-17(12)27-20(23)25-9)10-5-15(19(32-2)24-8-10)28-33(30,31)16-4-3-11(21)6-14(16)22/h3-8,28H,1-2H3,(H3,23,25,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50460058 (CHEMBL4227076) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1cc2c(C)nc(N)nc2s1 Show InChI InChI=1S/C19H16FN5O2S2/c1-10-15-8-17(28-18(15)24-19(21)23-10)12-7-16(11(2)22-9-12)25-29(26,27)14-5-3-13(20)4-6-14/h3-9,25H,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair