Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50037908   

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))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	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	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110beta				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kc2beta				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	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	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110beta				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207163 (4-morpholin-4-yl-2-[3-(2-morpholin-4-yl-ethoxy)-ph...) Show SMILES C(CN1CCOCC1)Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C25H27N5O4/c1-3-18(17-19(4-1)33-16-9-29-7-12-31-13-8-29)23-27-21-20-5-2-6-26-25(20)34-22(21)24(28-23)30-10-14-32-15-11-30/h1-6,17H,7-16H2	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207172 (CHEMBL534951 | [3-(4-morpholin-4-yl-pyrido[3',2':4...) Show SMILES OC(=O)COc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C21H18N4O5/c26-16(27)12-29-14-4-1-3-13(11-14)19-23-17-15-5-2-6-22-21(15)30-18(17)20(24-19)25-7-9-28-10-8-25/h1-6,11H,7-10,12H2,(H,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	24	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207169 (4-(4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]py...) Show SMILES Oc1ccc(cc1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-5-3-12(4-6-13)17-21-15-14-2-1-7-20-19(14)26-16(15)18(22-17)23-8-10-25-11-9-23/h1-7,24H,8-11H2	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207173 (4-morpholin-4-yl-2-[3-(2-thiomorpholin-4-yl-ethoxy...) Show SMILES C(CN1CCSCC1)Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C25H27N5O3S/c1-3-18(17-19(4-1)32-14-7-29-10-15-34-16-11-29)23-27-21-20-5-2-6-26-25(20)33-22(21)24(28-23)30-8-12-31-13-9-30/h1-6,17H,7-16H2	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207170 (2-(3-methoxy-phenyl)-4-morpholin-4-yl-pyrido[3',2'...) Show SMILES COc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C20H18N4O3/c1-25-14-5-2-4-13(12-14)18-22-16-15-6-3-7-21-20(15)27-17(16)19(23-18)24-8-10-26-11-9-24/h2-7,12H,8-11H2,1H3	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207167 (3-(4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]py...) Show SMILES Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H17N5O2/c20-13-4-1-3-12(11-13)17-22-15-14-5-2-6-21-19(14)26-16(15)18(23-17)24-7-9-25-10-8-24/h1-6,11H,7-10,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207165 (4-morpholin-4-yl-2-phenyl-pyrido[3',2':4,5]furo[3,...) Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1ccccc1 Show InChI InChI=1S/C19H16N4O2/c1-2-5-13(6-3-1)17-21-15-14-7-4-8-20-19(14)25-16(15)18(22-17)23-9-11-24-12-10-23/h1-8H,9-12H2	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207175 (4-morpholin-4-yl-2-[3-(2-piperidin-1-yl-ethoxy)-ph...) Show SMILES C(CN1CCCCC1)Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C26H29N5O3/c1-2-10-30(11-3-1)12-17-33-20-7-4-6-19(18-20)24-28-22-21-8-5-9-27-26(21)34-23(22)25(29-24)31-13-15-32-16-14-31/h4-9,18H,1-3,10-17H2	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kc2beta				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110gamma				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110beta				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207168 (2-(4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]py...) Show SMILES Oc1ccccc1-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-14-6-2-1-4-12(14)17-21-15-13-5-3-7-20-19(13)26-16(15)18(22-17)23-8-10-25-11-9-23/h1-7,24H,8-11H2	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207178 (4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrim...) Show SMILES C1CN(CCO1)c1ncnc2c3cccnc3oc12 Show InChI InChI=1S/C13H12N4O2/c1-2-9-10-11(19-13(9)14-3-1)12(16-8-15-10)17-4-6-18-7-5-17/h1-3,8H,4-7H2	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	560	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	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	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110gamma				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207177 (4-morpholin-4-yl-pyrido[3',2':4,5]thieno[3,2-d]pyr...) Show SMILES C1CN(CCO1)c1ncnc2c3cccnc3sc12 Show InChI InChI=1S/C13H12N4OS/c1-2-9-10-11(19-13(9)14-3-1)12(16-8-15-10)17-4-6-18-7-5-17/h1-3,8H,4-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110gamma				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207176 (4-morpholin-4-yl-2-phenyl-pyrido[3',2':4,5]thieno[...) Show SMILES C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1ccccc1 Show InChI InChI=1S/C19H16N4OS/c1-2-5-13(6-3-1)17-21-15-14-7-4-8-20-19(14)25-16(15)18(22-17)23-9-11-24-12-10-23/h1-8H,9-12H2	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kc2beta				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207174 (4-morpholin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidine...) Show SMILES C1CN(CCO1)c1ncnc2c3ccccc3sc12 Show InChI InChI=1S/C14H13N3OS/c1-2-4-11-10(3-1)12-13(19-11)14(16-9-15-12)17-5-7-18-8-6-17/h1-4,9H,5-8H2	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Cyclin E/CDK2				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207179 (8-morpholin-4-yl-9H-1,5,7,9-tetraaza-fluorene | CH...) Show SMILES C1CN(CCO1)c1ncnc2c3cccnc3[nH]c12 Show InChI InChI=1S/C13H13N5O/c1-2-9-10-11(17-12(9)14-3-1)13(16-8-15-10)18-4-6-19-7-5-18/h1-3,8H,4-7H2,(H,14,17)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50207171 (4-morpholin-4-yl-2-phenyl-benzo[4,5]thieno[3,2-d]p...) Show SMILES C1CN(CCO1)c1nc(nc2c3ccccc3sc12)-c1ccccc1 Show InChI InChI=1S/C20H17N3OS/c1-2-6-14(7-3-1)19-21-17-15-8-4-5-9-16(15)25-18(17)20(22-19)23-10-12-24-13-11-23/h1-9H,10-13H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of p110alpha by SPA assay				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	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	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (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 UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Cyclin E/CDK2				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (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	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Protein kinase C alpha type (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	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PKCalpha				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM25018 (3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2	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	Article PubMed	n/a	n/a	4.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PKCalpha				Bioorg Med Chem Lett 17: 2438-42 (2007) Article DOI: 10.1016/j.bmcl.2007.02.032 BindingDB Entry DOI: 10.7270/Q28053F2
					More data for this Ligand-Target Pair