Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'knapp' and Initial = 'ms'   

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))	BDBM50140266 (CHEMBL3753366) Show SMILES CC(C)Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C16H18N6O2/c1-9(2)24-16-15(17)18-6-12(20-16)11-4-5-14-21-13(19-10(3)23)8-22(14)7-11/h4-9H,1-3H3,(H2,17,18)(H,19,23)	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	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
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))	BDBM50140265 (CHEMBL3753450) Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)	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	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140269 (CHEMBL3752653) Show SMILES CCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C15H16N6O2/c1-3-23-15-14(16)17-6-11(19-15)10-4-5-13-20-12(18-9(2)22)8-21(13)7-10/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140267 (CHEMBL3752019) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(OCC(F)(F)F)n1 Show InChI InChI=1S/C15H13F3N6O2/c1-8(25)21-11-6-24-5-9(2-3-12(24)23-11)10-4-20-13(19)14(22-10)26-7-15(16,17)18/h2-6H,7H2,1H3,(H2,19,20)(H,21,25)	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	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140270 (CHEMBL3752503) Show SMILES COc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C14H14N6O2/c1-8(21)17-11-7-20-6-9(3-4-12(20)19-11)10-5-16-13(15)14(18-10)22-2/h3-7H,1-2H3,(H2,15,16)(H,17,21)	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	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					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))	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140273 (CHEMBL3752760) Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1 Show InChI InChI=1S/C14H14N6O2/c1-8(21)17-12-7-20-13(18-12)4-3-10(19-20)9-5-11(22-2)14(15)16-6-9/h3-7H,1-2H3,(H2,15,16)(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140271 (CHEMBL3751961) Show SMILES COCCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1 Show InChI InChI=1S/C16H18N6O3/c1-10(23)19-14-9-22-15(20-14)4-3-12(21-22)11-7-13(16(17)18-8-11)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)	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	6	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50331592 (3-(6-(6-methoxypyridin-3-ylamino)-2-morpholinopyri...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cccc(O)c2)cn1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-6-5-15(13-21-19)22-18-12-17(14-3-2-4-16(26)11-14)23-20(24-18)25-7-9-28-10-8-25/h2-6,11-13,26H,7-10H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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				Bioorg Med Chem Lett 20: 6895-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.021 BindingDB Entry DOI: 10.7270/Q2QZ2B6C
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50140265 (CHEMBL3753450) Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)	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	7	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					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 alpha isoform (Homo sapiens (Human))	BDBM50140268 (CHEMBL3753085) Show SMILES COCCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C16H18N6O3/c1-10(23)19-13-9-22-8-11(3-4-14(22)21-13)12-7-18-15(17)16(20-12)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)	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	8	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50140265 (CHEMBL3753450) Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)	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	8	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					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))	BDBM50140272 (CHEMBL3754572) Show SMILES CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1 Show InChI InChI=1S/C15H16N6O2/c1-3-23-12-6-10(7-17-15(12)16)11-4-5-14-19-13(18-9(2)22)8-21(14)20-11/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156294 (CHEMBL3781415) Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	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 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140275 (CHEMBL3752775) Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C15H15N5O2/c1-9(21)18-13-8-20-7-10(3-4-14(20)19-13)11-5-12(22-2)15(16)17-6-11/h3-8H,1-2H3,(H2,16,17)(H,18,21)	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	13	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156302 (CHEMBL3780029) Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156296 (CHEMBL3781466) Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140274 (CHEMBL3753665) Show SMILES CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C16H17N5O2/c1-3-23-13-6-12(7-18-16(13)17)11-4-5-15-20-14(19-10(2)22)9-21(15)8-11/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50331592 (3-(6-(6-methoxypyridin-3-ylamino)-2-morpholinopyri...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cccc(O)c2)cn1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-6-5-15(13-21-19)22-18-12-17(14-3-2-4-16(26)11-14)23-20(24-18)25-7-9-28-10-8-25/h2-6,11-13,26H,7-10H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	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				Bioorg Med Chem Lett 20: 6895-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.021 BindingDB Entry DOI: 10.7270/Q2QZ2B6C
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156294 (CHEMBL3781415) Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156296 (CHEMBL3781466) Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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 VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50140276 (CHEMBL3752175) Show SMILES COCCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1 Show InChI InChI=1S/C17H19N5O3/c1-11(23)20-15-10-22-9-12(3-4-16(22)21-15)13-7-14(17(18)19-8-13)25-6-5-24-2/h3-4,7-10H,5-6H2,1-2H3,(H2,18,19)(H,20,23)	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	26	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50331577 (3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-...) Show SMILES Oc1cccc(c1)-c1cc(Nc2ccc3[nH]ncc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H20N6O2/c28-17-3-1-2-14(11-17)19-12-20(25-21(24-19)27-6-8-29-9-7-27)23-16-4-5-18-15(10-16)13-22-26-18/h1-5,10-13,28H,6-9H2,(H,22,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	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				Bioorg Med Chem Lett 20: 6895-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.021 BindingDB Entry DOI: 10.7270/Q2QZ2B6C
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50331577 (3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-...) Show SMILES Oc1cccc(c1)-c1cc(Nc2ccc3[nH]ncc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H20N6O2/c28-17-3-1-2-14(11-17)19-12-20(25-21(24-19)27-6-8-29-9-7-27)23-16-4-5-18-15(10-16)13-22-26-18/h1-5,10-13,28H,6-9H2,(H,22,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	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				Bioorg Med Chem Lett 20: 6895-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.021 BindingDB Entry DOI: 10.7270/Q2QZ2B6C
					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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156298 (CHEMBL3781926) Show SMILES CC(C)(C)Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C21H25N7/c1-21(2,3)28-20-24-13-16(18(27-20)12-14-4-5-14)17-8-11-23-19(26-17)25-15-6-9-22-10-7-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,27,28)(H,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156302 (CHEMBL3780029) Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50140265 (CHEMBL3753450) Show SMILES CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N6O2/c1-8(16(17,18)19)27-15-14(20)21-5-11(23-15)10-3-4-13-24-12(22-9(2)26)7-25(13)6-10/h3-8H,1-2H3,(H2,20,21)(H,22,26)	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	50	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 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay				Bioorg Med Chem Lett 26: 742-6 (2016) Article DOI: 10.1016/j.bmcl.2016.01.003 BindingDB Entry DOI: 10.7270/Q2XP76SB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50331593 (3-(2-morpholino-6-(pyridin-3-yloxy)pyrimidin-4-yl)...) Show SMILES Oc1cccc(c1)-c1cc(Oc2cccnc2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C19H18N4O3/c24-15-4-1-3-14(11-15)17-12-18(26-16-5-2-6-20-13-16)22-19(21-17)23-7-9-25-10-8-23/h1-6,11-13,24H,7-10H2	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	50	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				Bioorg Med Chem Lett 20: 6895-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.021 BindingDB Entry DOI: 10.7270/Q2QZ2B6C
					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))	BDBM50331591 (3-(2-morpholino-6-(pyridin-3-ylamino)pyrimidin-4-y...) Show SMILES Oc1cccc(c1)-c1cc(Nc2cccnc2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C19H19N5O2/c25-16-5-1-3-14(11-16)17-12-18(21-15-4-2-6-20-13-15)23-19(22-17)24-7-9-26-10-8-24/h1-6,11-13,25H,7-10H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	56	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				Bioorg Med Chem Lett 20: 6895-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.021 BindingDB Entry DOI: 10.7270/Q2QZ2B6C
					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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156295 (CHEMBL3781615) Show SMILES C(Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1)c1ccccc1 Show InChI InChI=1S/C24H23N7/c1-2-4-18(5-3-1)15-27-23-28-16-20(22(31-23)14-17-6-7-17)21-10-13-26-24(30-21)29-19-8-11-25-12-9-19/h1-5,8-13,16-17H,6-7,14-15H2,(H,27,28,31)(H,25,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156297 (CHEMBL3780339) Show SMILES CC(C)(C)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156300 (CHEMBL3781634) Show SMILES COc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1 Show InChI InChI=1S/C18H18N6O/c1-25-18-21-11-14(16(24-18)10-12-2-3-12)15-6-9-20-17(23-15)22-13-4-7-19-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156293 (CHEMBL3781916) Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.23,wD:18.19,(-9.3,9.74,;-9.31,8.51,;-7.98,7.73,;-6.64,8.49,;-5.31,7.71,;-5.32,6.17,;-6.66,5.41,;-6.67,3.87,;-8.01,3.11,;-8.71,1.83,;-9.47,3.17,;-7.99,6.19,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.66,3.08,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.4,-1.39,;1.33,.77,;,1.54,;-4,3.86,)| Show InChI InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156337 (CHEMBL3781236) Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccc(OC)cc2)n1 Show InChI InChI=1S/C20H22N6O/c1-21-19-23-12-16(18(26-19)11-13-3-4-13)17-9-10-22-20(25-17)24-14-5-7-15(27-2)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,23,26)(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50156338 (CHEMBL3782016) Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2cnc3ccccc3c2)n1 Show InChI InChI=1S/C22H21N7/c1-23-21-26-13-17(20(29-21)10-14-6-7-14)19-8-9-24-22(28-19)27-16-11-15-4-2-3-5-18(15)25-12-16/h2-5,8-9,11-14H,6-7,10H2,1H3,(H,23,26,29)(H,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay				ACS Med Chem Lett 7: 72-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00335 BindingDB Entry DOI: 10.7270/Q2K35WK6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 135 total )  |  Next  |  Last  >>

Jump to: