Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50043354   

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))	BDBM50439721 (CHEMBL2418953) Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6O/c1-7(24)20-11-6-23-12(21-11)3-2-10(22-23)8-4-9(14(15,16)17)13(18)19-5-8/h2-6H,1H3,(H2,18,19)(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439726 (CHEMBL2418948) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N4OS/c1-7(23)21-14-22-11-3-2-8(5-12(11)24-14)9-4-10(15(16,17)18)13(19)20-6-9/h2-6H,1H3,(H2,19,20)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439723 (CHEMBL2418951) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1ccc2nc(NC(=O)CCCN3CCCCC3)sc2c1 Show InChI InChI=1S/C22H24F3N5OS/c23-22(24,25)16-11-15(13-27-20(16)26)14-6-7-17-18(12-14)32-21(28-17)29-19(31)5-4-10-30-8-2-1-3-9-30/h6-7,11-13H,1-5,8-10H2,(H2,26,27)(H,28,29,31)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439722 (CHEMBL2418952) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1ccc2nc(NC(=O)CCCN3CCOCC3)sc2c1 Show InChI InChI=1S/C21H22F3N5O2S/c22-21(23,24)15-10-14(12-26-19(15)25)13-3-4-16-17(11-13)32-20(27-16)28-18(30)2-1-5-29-6-8-31-9-7-29/h3-4,10-12H,1-2,5-9H2,(H2,25,26)(H,27,28,30)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439713 (CHEMBL2418943) Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439714 (CHEMBL2418944) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(C)c1 Show InChI InChI=1S/C15H14N4OS/c1-8-5-11(7-17-14(8)16)10-3-4-12-13(6-10)21-15(19-12)18-9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439727 (CHEMBL2418947) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C13H11N5OS/c1-7(19)17-13-18-10-3-2-8(4-11(10)20-13)9-5-15-12(14)16-6-9/h2-6H,1H3,(H2,14,15,16)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439728 (CHEMBL2418946) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccc(N)nc1 Show InChI InChI=1S/C14H12N4OS/c1-8(19)17-14-18-11-4-2-9(6-12(11)20-14)10-3-5-13(15)16-7-10/h2-7H,1H3,(H2,15,16)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439729 (CHEMBL2418961) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-9(18)16-14-17-12-5-4-10(7-13(12)19-14)11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439720 (CHEMBL2418955) Show SMILES CC(=O)Nc1cn2cc(ncc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6O/c1-7(24)21-11-6-23-5-10(19-4-12(23)22-11)8-2-9(14(15,16)17)13(18)20-3-8/h2-6H,1H3,(H2,18,20)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439724 (CHEMBL2418950) Show SMILES Nc1ccc(cn1)-c1ccc2nc(NC(=O)CCCN3CCCCC3)sc2c1 Show InChI InChI=1S/C21H25N5OS/c22-19-9-7-16(14-23-19)15-6-8-17-18(13-15)28-21(24-17)25-20(27)5-4-12-26-10-2-1-3-11-26/h6-9,13-14H,1-5,10-12H2,(H2,22,23)(H,24,25,27)	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439719 (CHEMBL2418956) Show SMILES CC(=O)Nc1nc2ccc(cc2o1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H11F3N4O2/c1-7(23)21-14-22-11-3-2-8(5-12(11)24-14)9-4-10(15(16,17)18)13(19)20-6-9/h2-6H,1H3,(H2,19,20)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439725 (CHEMBL2418949) Show SMILES Nc1ccc(cn1)-c1ccc2nc(NC(=O)CN3CCCCC3)sc2c1 Show InChI InChI=1S/C19H21N5OS/c20-17-7-5-14(11-21-17)13-4-6-15-16(10-13)26-19(22-15)23-18(25)12-24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H2,20,21)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439718 (CHEMBL2418957) Show SMILES CC(=O)Nc1ncc2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H12F3N5O/c1-8(25)23-15-22-7-11-4-9(2-3-13(11)24-15)10-5-12(16(17,18)19)14(20)21-6-10/h2-7H,1H3,(H2,20,21)(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VPS34 (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439715 (CHEMBL2418945) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C15H11F3N4OS/c1-7(23)21-14-22-11-3-2-8(4-12(11)24-14)9-6-20-13(19)5-10(9)15(16,17)18/h2-6H,1H3,(H2,19,20)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439712 (CHEMBL2418960) Show SMILES COC(=O)c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439717 (CHEMBL2418958) Show SMILES CC(=O)Nc1cn2cc(cnc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6O/c1-7(24)21-11-6-23-5-9(4-20-13(23)22-11)8-2-10(14(15,16)17)12(18)19-3-8/h2-6H,1H3,(H2,18,19)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439716 (CHEMBL2418959) Show SMILES CC(=O)Nc1nc2ccc(cc2n1C)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H14F3N5O/c1-8(25)22-15-23-12-4-3-9(6-13(12)24(15)2)10-5-11(16(17,18)19)14(20)21-7-10/h3-7H,1-2H3,(H2,20,21)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50439712 (CHEMBL2418960) Show SMILES COC(=O)c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50439712 (CHEMBL2418960) Show SMILES COC(=O)c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50439711 (CHEMBL2418954) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H12F3N5O/c1-8(24)21-12-7-23-6-9(2-3-13(23)22-12)10-4-11(15(16,17)18)14(19)20-5-10/h2-7H,1H3,(H2,19,20)(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50439712 (CHEMBL2418960) Show SMILES COC(=O)c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50439712 (CHEMBL2418960) Show SMILES COC(=O)c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VPS34 (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay				Bioorg Med Chem Lett 23: 4652-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.010 BindingDB Entry DOI: 10.7270/Q2NP25T0
					More data for this Ligand-Target Pair