Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'weismann' and Initial = 'm'   

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))	BDBM50336877 (5,5'-(2-morpholinopyrimidine-4,6-diyl)dipyrimidin-...) Show SMILES Nc1ncc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C16H18N10O/c17-14-19-6-10(7-20-14)12-5-13(23-11-8-21-15(18)22-9-11)25-16(24-12)26-1-3-27-4-2-26/h5-9H,1-4H2,(H2,17,19,20)(H2,18,21,22)(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	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336875 (CHEMBL1672324 | N2'-methyl-2-morpholino-N6-(quinol...) Show SMILES CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H22N8O/c1-23-21-25-12-16(13-26-21)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-17-10-15-4-2-3-5-18(15)24-14-17/h2-5,10-14H,6-9H2,1H3,(H,23,25,26)(H,27,28,29)	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336873 (CHEMBL1672321 | N-(2-morpholino-4,5'-bipyrimidin-6...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cncnc1 Show InChI InChI=1S/C21H19N7O/c1-2-4-18-15(3-1)9-17(13-24-18)25-20-10-19(16-11-22-14-23-12-16)26-21(27-20)28-5-7-29-8-6-28/h1-4,9-14H,5-8H2,(H,25,26,27)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336878 (2-morpholino-N6-(tetrahydro-2H-pyran-4-yl)-4,5'-bi...) Show SMILES Nc1ncc(cn1)-c1cc(NC2CCOCC2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(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 Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336879 (2-morpholino-4,5'-bipyrimidin-2'-amine | CHEMBL167...) Show SMILES Nc1ncc(cn1)-c1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336872 (CHEMBL1672320 | N-(6-(5-aminopyrazin-2-yl)-2-morph...) Show SMILES Nc1cnc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H20N8O/c22-19-13-24-18(12-25-19)17-10-20(28-21(27-17)29-5-7-30-8-6-29)26-15-9-14-3-1-2-4-16(14)23-11-15/h1-4,9-13H,5-8H2,(H2,22,25)(H,26,27,28)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336868 (CHEMBL1672316 | N-(6-(6-aminopyridin-3-yl)-2-morph...) Show SMILES Nc1ccc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336866 (3-(2-morpholino-6-(quinolin-3-ylamino)pyrimidin-4-...) Show SMILES Oc1cccc(c1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H21N5O2/c29-19-6-3-5-17(13-19)21-14-22(27-23(26-21)28-8-10-30-11-9-28)25-18-12-16-4-1-2-7-20(16)24-15-18/h1-7,12-15,29H,8-11H2,(H,25,26,27)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336869 (CHEMBL1672317 | N-(6-(3H-imidazo[4,5-b]pyridin-6-y...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cnc2n[nH]cc2c1 Show InChI InChI=1S/C23H20N8O/c1-2-4-19-15(3-1)10-18(14-24-19)27-21-11-20(16-9-17-13-26-30-22(17)25-12-16)28-23(29-21)31-5-7-32-8-6-31/h1-4,9-14H,5-8H2,(H,25,26,30)(H,27,28,29)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336867 (CHEMBL1672315 | N-(2-morpholino-6-(pyridin-3-yl)py...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cccnc1 Show InChI InChI=1S/C22H20N6O/c1-2-6-19-16(4-1)12-18(15-24-19)25-21-13-20(17-5-3-7-23-14-17)26-22(27-21)28-8-10-29-11-9-28/h1-7,12-15H,8-11H2,(H,25,26,27)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336871 (CHEMBL1672319 | N-(2-morpholino-6-(pyrazin-2-yl)py...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cnccn1 Show InChI InChI=1S/C21H19N7O/c1-2-4-17-15(3-1)11-16(13-24-17)25-20-12-18(19-14-22-5-6-23-19)26-21(27-20)28-7-9-29-10-8-28/h1-6,11-14H,7-10H2,(H,25,26,27)	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	231	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336876 (CHEMBL1672325 | N2',N2'-dimethyl-2-morpholino-N6-(...) Show SMILES CN(C)c1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H24N8O/c1-30(2)22-25-13-17(14-26-22)20-12-21(29-23(28-20)31-7-9-32-10-8-31)27-18-11-16-5-3-4-6-19(16)24-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,27,28,29)	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	247	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336870 (4-(2-morpholino-6-(quinolin-3-ylamino)pyrimidin-4-...) Show SMILES O=c1cc(cc[nH]1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H20N6O2/c29-21-12-16(5-6-23-21)19-13-20(27-22(26-19)28-7-9-30-10-8-28)25-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H,23,29)(H,25,26,27)	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	253	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336874 (2-morpholino-6-(quinolin-3-ylamino)-4,5'-bipyrimid...) Show SMILES O=c1ncc(c[nH]1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H19N7O2/c29-21-23-11-15(12-24-21)18-10-19(27-20(26-18)28-5-7-30-8-6-28)25-16-9-14-3-1-2-4-17(14)22-13-16/h1-4,9-13H,5-8H2,(H,23,24,29)(H,25,26,27)	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	774	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mTOR after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI4Kbeta after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of VPS34 after 15 mins				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336882 (CHEMBL1672327 | N6-(6-(1-methylpiperidin-4-yloxy)p...) Show SMILES CN1CCC(CC1)Oc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C23H29N9O2/c1-31-6-4-18(5-7-31)34-21-3-2-17(15-25-21)28-20-12-19(16-13-26-22(24)27-14-16)29-23(30-20)32-8-10-33-11-9-32/h2-3,12-15,18H,4-11H2,1H3,(H2,24,26,27)(H,28,29,30)	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	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336865 (CHEMBL1672328 | N6-(6-methoxypyridin-3-yl)-2-morph...) Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1 Show InChI InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336879 (2-morpholino-4,5'-bipyrimidin-2'-amine | CHEMBL167...) Show SMILES Nc1ncc(cn1)-c1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336866 (3-(2-morpholino-6-(quinolin-3-ylamino)pyrimidin-4-...) Show SMILES Oc1cccc(c1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H21N5O2/c29-19-6-3-5-17(13-19)21-14-22(27-23(26-21)28-8-10-30-11-9-28)25-18-12-16-4-1-2-7-20(16)24-15-18/h1-7,12-15,29H,8-11H2,(H,25,26,27)	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	n/a	n/a	370	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336871 (CHEMBL1672319 | N-(2-morpholino-6-(pyrazin-2-yl)py...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cnccn1 Show InChI InChI=1S/C21H19N7O/c1-2-4-17-15(3-1)11-16(13-24-17)25-20-12-18(19-14-22-5-6-23-19)26-21(27-20)28-7-9-29-10-8-28/h1-6,11-14H,7-10H2,(H,25,26,27)	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	n/a	n/a	390	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336880 (2-morpholino-N6-(quinolin-3-yl)-4,5'-bipyrimidine-...) Show SMILES Nc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H20N8O/c22-20-24-11-15(12-25-20)18-10-19(28-21(27-18)29-5-7-30-8-6-29)26-16-9-14-3-1-2-4-17(14)23-13-16/h1-4,9-13H,5-8H2,(H2,22,24,25)(H,26,27,28)	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	n/a	n/a	40	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336881 (2-morpholino-N6-(6-phenoxypyridin-3-yl)-4,5'-bipyr...) Show SMILES Nc1ncc(cn1)-c1cc(Nc2ccc(Oc3ccccc3)nc2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H22N8O2/c24-22-26-13-16(14-27-22)19-12-20(30-23(29-19)31-8-10-32-11-9-31)28-17-6-7-21(25-15-17)33-18-4-2-1-3-5-18/h1-7,12-15H,8-11H2,(H2,24,26,27)(H,28,29,30)	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	n/a	n/a	110	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336875 (CHEMBL1672324 | N2'-methyl-2-morpholino-N6-(quinol...) Show SMILES CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H22N8O/c1-23-21-25-12-16(13-26-21)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-17-10-15-4-2-3-5-18(15)24-14-17/h2-5,10-14H,6-9H2,1H3,(H,23,25,26)(H,27,28,29)	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	n/a	n/a	110	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336873 (CHEMBL1672321 | N-(2-morpholino-4,5'-bipyrimidin-6...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cncnc1 Show InChI InChI=1S/C21H19N7O/c1-2-4-18-15(3-1)9-17(13-24-18)25-20-10-19(16-11-22-14-23-12-16)26-21(27-20)28-5-7-29-8-6-28/h1-4,9-14H,5-8H2,(H,25,26,27)	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	n/a	n/a	450	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336872 (CHEMBL1672320 | N-(6-(5-aminopyrazin-2-yl)-2-morph...) Show SMILES Nc1cnc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H20N8O/c22-19-13-24-18(12-25-19)17-10-20(28-21(27-17)29-5-7-30-8-6-29)26-15-9-14-3-1-2-4-16(14)23-11-15/h1-4,9-13H,5-8H2,(H2,22,25)(H,26,27,28)	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	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336868 (CHEMBL1672316 | N-(6-(6-aminopyridin-3-yl)-2-morph...) Show SMILES Nc1ccc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28)	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	n/a	n/a	310	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336867 (CHEMBL1672315 | N-(2-morpholino-6-(pyridin-3-yl)py...) Show SMILES C1CN(CCO1)c1nc(Nc2cnc3ccccc3c2)cc(n1)-c1cccnc1 Show InChI InChI=1S/C22H20N6O/c1-2-6-19-16(4-1)12-18(15-24-19)25-21-13-20(17-5-3-7-23-14-17)26-22(27-21)28-8-10-29-11-9-28/h1-7,12-15H,8-11H2,(H,25,26,27)	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	n/a	n/a	650	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336878 (2-morpholino-N6-(tetrahydro-2H-pyran-4-yl)-4,5'-bi...) Show SMILES Nc1ncc(cn1)-c1cc(NC2CCOCC2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c18-16-19-10-12(11-20-16)14-9-15(21-13-1-5-25-6-2-13)23-17(22-14)24-3-7-26-8-4-24/h9-11,13H,1-8H2,(H2,18,19,20)(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 Patents	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr				ACS Med Chem Lett 2: 34-38 (2011) Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R
					More data for this Ligand-Target Pair