Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50030978   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304675 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1)Nc1cccnc1 |TLB:11:12:19:15.16| Show InChI InChI=1S/C24H22N6O2S/c31-24(27-17-2-1-10-25-12-17)26-16-5-3-15(4-6-16)22-28-20-9-11-33-21(20)23(29-22)30-13-18-7-8-19(14-30)32-18/h1-6,9-12,18-19H,7-8,13-14H2,(H2,26,27,31)	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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304672 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES OCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C21H23N5O3S/c27-9-8-22-21(28)23-14-3-1-13(2-4-14)19-24-17-7-10-30-18(17)20(25-19)26-11-15-5-6-16(12-26)29-15/h1-4,7,10,15-16,27H,5-6,8-9,11-12H2,(H2,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304676 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:18:19:26:22.23| Show InChI InChI=1S/C24H22N6O2S/c31-24(27-17-7-10-25-11-8-17)26-16-3-1-15(2-4-16)22-28-20-9-12-33-21(20)23(29-22)30-13-18-5-6-19(14-30)32-18/h1-4,7-12,18-19H,5-6,13-14H2,(H2,25,26,27,31)	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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304667 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3ccncc3)cc2)CC1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C30H34N8O4S2/c1-44(40,41)38-14-12-36(13-15-38)19-25-16-26-27(43-25)29(37-17-23-6-7-24(18-37)42-23)35-28(34-26)20-2-4-21(5-3-20)32-30(39)33-22-8-10-31-11-9-22/h2-5,8-11,16,23-24H,6-7,12-15,17-19H2,1H3,(H2,31,32,33,39)	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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304665 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3cccnc3)cc2)CC1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C30H34N8O4S2/c1-44(40,41)38-13-11-36(12-14-38)19-25-15-26-27(43-25)29(37-17-23-8-9-24(18-37)42-23)35-28(34-26)20-4-6-21(7-5-20)32-30(39)33-22-3-2-10-31-16-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H2,32,33,39)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304673 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C22H23N5O2S/c28-22(24-15-5-6-15)23-14-3-1-13(2-4-14)20-25-18-9-10-30-19(18)21(26-20)27-11-16-7-8-17(12-27)29-16/h1-4,9-10,15-17H,5-8,11-12H2,(H2,23,24,28)	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	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304670 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:14:15:22:18.19| Show InChI InChI=1S/C21H23N5O2S/c1-2-22-21(27)23-14-5-3-13(4-6-14)19-24-17-9-10-29-18(17)20(25-19)26-11-15-7-8-16(12-26)28-15/h3-6,9-10,15-16H,2,7-8,11-12H2,1H3,(H2,22,23,27)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304671 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C21H22FN5O2S/c22-8-9-23-21(28)24-14-3-1-13(2-4-14)19-25-17-7-10-30-18(17)20(26-19)27-11-15-5-6-16(12-27)29-15/h1-4,7,10,15-16H,5-6,8-9,11-12H2,(H2,23,24,28)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304669 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C20H21N5O2S/c1-21-20(26)22-13-4-2-12(3-5-13)18-23-16-8-9-28-17(16)19(24-18)25-10-14-6-7-15(11-25)27-14/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(H2,21,22,26)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304680 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)NC3CC3)cc2)CC1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C28H35N7O4S2/c1-41(37,38)35-12-10-33(11-13-35)17-23-14-24-25(40-23)27(34-15-21-8-9-22(16-34)39-21)32-26(31-24)18-2-4-19(5-3-18)29-28(36)30-20-6-7-20/h2-5,14,20-22H,6-13,15-17H2,1H3,(H2,29,30,36)	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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304674 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:18:19:26:22.23| Show InChI InChI=1S/C25H23N5O2S/c31-25(26-17-4-2-1-3-5-17)27-18-8-6-16(7-9-18)23-28-21-12-13-33-22(21)24(29-23)30-14-19-10-11-20(15-30)32-19/h1-9,12-13,19-20H,10-11,14-15H2,(H2,26,27,31)	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	1.25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304678 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C26H33N7O4S2/c1-27-26(34)28-18-5-3-17(4-6-18)24-29-22-13-21(16-31-9-11-33(12-10-31)39(2,35)36)38-23(22)25(30-24)32-14-19-7-8-20(15-32)37-19/h3-6,13,19-20H,7-12,14-16H2,1-2H3,(H2,27,28,34)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304666 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CN1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3ccncc3)cc2)CC1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C30H34N8O2S/c1-36-12-14-37(15-13-36)19-25-16-26-27(41-25)29(38-17-23-6-7-24(18-38)40-23)35-28(34-26)20-2-4-21(5-3-20)32-30(39)33-22-8-10-31-11-9-22/h2-5,8-11,16,23-24H,6-7,12-15,17-19H2,1H3,(H2,31,32,33,39)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304681 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CN1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3cccnc3)cc2)CC1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C30H34N8O2S/c1-36-11-13-37(14-12-36)19-25-15-26-27(41-25)29(38-17-23-8-9-24(18-38)40-23)35-28(34-26)20-4-6-21(7-5-20)32-30(39)33-22-3-2-10-31-16-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H2,32,33,39)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304667 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3ccncc3)cc2)CC1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C30H34N8O4S2/c1-44(40,41)38-14-12-36(13-15-38)19-25-16-26-27(43-25)29(37-17-23-6-7-24(18-37)42-23)35-28(34-26)20-2-4-21(5-3-20)32-30(39)33-22-8-10-31-11-9-22/h2-5,8-11,16,23-24H,6-7,12-15,17-19H2,1H3,(H2,31,32,33,39)	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304689 (5-(4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimid...) Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)12-18-10-1-6-22-11(10)13(19-12)20-2-4-21-5-3-20/h1,6-8H,2-5H2,(H2,15,16,17)	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304668 (CHEMBL605915 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C20H20N4O3S/c1-26-20(25)21-13-4-2-12(3-5-13)18-22-16-8-9-28-17(16)19(23-18)24-10-14-6-7-15(11-24)27-14/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(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	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304665 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3cccnc3)cc2)CC1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C30H34N8O4S2/c1-44(40,41)38-13-11-36(12-14-38)19-25-15-26-27(43-25)29(37-17-23-8-9-24(18-37)42-23)35-28(34-26)20-4-6-21(7-5-20)32-30(39)33-22-3-2-10-31-16-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H2,32,33,39)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304679 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CN1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)NC3CC3)cc2)CC1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C28H35N7O2S/c1-33-10-12-34(13-11-33)17-23-14-24-25(38-23)27(35-15-21-8-9-22(16-35)37-21)32-26(31-24)18-2-4-19(5-3-18)29-28(36)30-20-6-7-20/h2-5,14,20-22H,6-13,15-17H2,1H3,(H2,29,30,36)	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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304677 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sc(CN3CCN(C)CC3)cc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C26H33N7O2S/c1-27-26(34)28-18-5-3-17(4-6-18)24-29-22-13-21(16-32-11-9-31(2)10-12-32)36-23(22)25(30-24)33-14-19-7-8-20(15-33)35-19/h3-6,13,19-20H,7-12,14-16H2,1-2H3,(H2,27,28,34)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304687 (3-(2-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-yl)-8...) Show SMILES C1CC2CN(CC1O2)c1nc(nc2ccsc12)-c1ccc2[nH]ccc2c1 |TLB:8:4:7:0.1| Show InChI InChI=1S/C20H18N4OS/c1-4-16-12(5-7-21-16)9-13(1)19-22-17-6-8-26-18(17)20(23-19)24-10-14-2-3-15(11-24)25-14/h1,4-9,14-15,21H,2-3,10-11H2	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304688 (CHEMBL596430 | N-(4-(4-(8-oxa-3-azabicyclo[3.2.1]o...) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C20H20N4O2S/c1-12(25)21-14-4-2-13(3-5-14)19-22-17-8-9-27-18(17)20(23-19)24-10-15-6-7-16(11-24)26-15/h2-5,8-9,15-16H,6-7,10-11H2,1H3,(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	26.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304684 (4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Oc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C18H17N3O2S/c22-12-3-1-11(2-4-12)17-19-15-7-8-24-16(15)18(20-17)21-9-13-5-6-14(10-21)23-13/h1-4,7-8,13-14,22H,5-6,9-10H2	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304685 (5-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Nc1ccc(cn1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C17H17N5OS/c18-14-4-1-10(7-19-14)16-20-13-5-6-24-15(13)17(21-16)22-8-11-2-3-12(9-22)23-11/h1,4-7,11-12H,2-3,8-9H2,(H2,18,19)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
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	41	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304678 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C26H33N7O4S2/c1-27-26(34)28-18-5-3-17(4-6-18)24-29-22-13-21(16-31-9-11-33(12-10-31)39(2,35)36)38-23(22)25(30-24)32-14-19-7-8-20(15-32)37-19/h3-6,13,19-20H,7-12,14-16H2,1-2H3,(H2,27,28,34)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (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	49	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304683 (5-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Nc1ncc(cn1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C16H16N6OS/c17-16-18-5-9(6-19-16)14-20-12-3-4-24-13(12)15(21-14)22-7-10-1-2-11(8-22)23-10/h3-6,10-11H,1-2,7-8H2,(H2,17,18,19)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304682 (3-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Oc1cccc(c1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C18H17N3O2S/c22-12-3-1-2-11(8-12)17-19-15-6-7-24-16(15)18(20-17)21-9-13-4-5-14(10-21)23-13/h1-3,6-8,13-14,22H,4-5,9-10H2	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304689 (5-(4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimid...) Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)12-18-10-1-6-22-11(10)13(19-12)20-2-4-21-5-3-20/h1,6-8H,2-5H2,(H2,15,16,17)	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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304676 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:18:19:26:22.23| Show InChI InChI=1S/C24H22N6O2S/c31-24(27-17-7-10-25-11-8-17)26-16-3-1-15(2-4-16)22-28-20-9-12-33-21(20)23(29-22)30-13-18-5-6-19(14-30)32-18/h1-4,7-12,18-19H,5-6,13-14H2,(H2,25,26,27,31)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304674 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:18:19:26:22.23| Show InChI InChI=1S/C25H23N5O2S/c31-25(26-17-4-2-1-3-5-17)27-18-8-6-16(7-9-18)23-28-21-12-13-33-22(21)24(29-23)30-14-19-10-11-20(15-30)32-19/h1-9,12-13,19-20H,10-11,14-15H2,(H2,26,27,31)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304666 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CN1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3ccncc3)cc2)CC1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C30H34N8O2S/c1-36-12-14-37(15-13-36)19-25-16-26-27(41-25)29(38-17-23-6-7-24(18-38)40-23)35-28(34-26)20-2-4-21(5-3-20)32-30(39)33-22-8-10-31-11-9-22/h2-5,8-11,16,23-24H,6-7,12-15,17-19H2,1H3,(H2,31,32,33,39)	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	86	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304686 (4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C18H18N4OS/c19-12-3-1-11(2-4-12)17-20-15-7-8-24-16(15)18(21-17)22-9-13-5-6-14(10-22)23-13/h1-4,7-8,13-14H,5-6,9-10,19H2	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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304675 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1)Nc1cccnc1 |TLB:11:12:19:15.16| Show InChI InChI=1S/C24H22N6O2S/c31-24(27-17-2-1-10-25-12-17)26-16-5-3-15(4-6-16)22-28-20-9-11-33-21(20)23(29-22)30-13-18-7-8-19(14-30)32-18/h1-6,9-12,18-19H,7-8,13-14H2,(H2,26,27,31)	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	119	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304681 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CN1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)Nc3cccnc3)cc2)CC1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C30H34N8O2S/c1-36-11-13-37(14-12-36)19-25-15-26-27(41-25)29(38-17-23-8-9-24(18-38)40-23)35-28(34-26)20-4-6-21(7-5-20)32-30(39)33-22-3-2-10-31-16-22/h2-7,10,15-16,23-24H,8-9,11-14,17-19H2,1H3,(H2,32,33,39)	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	148	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304680 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)NC3CC3)cc2)CC1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C28H35N7O4S2/c1-41(37,38)35-12-10-33(11-13-35)17-23-14-24-25(40-23)27(34-15-21-8-9-22(16-34)39-21)32-26(31-24)18-2-4-19(5-3-18)29-28(36)30-20-6-7-20/h2-5,14,20-22H,6-13,15-17H2,1H3,(H2,29,30,36)	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	179	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304683 (5-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Nc1ncc(cn1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C16H16N6OS/c17-16-18-5-9(6-19-16)14-20-12-3-4-24-13(12)15(21-14)22-7-10-1-2-11(8-22)23-10/h3-6,10-11H,1-2,7-8H2,(H2,17,18,19)	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	246	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304677 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sc(CN3CCN(C)CC3)cc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C26H33N7O2S/c1-27-26(34)28-18-5-3-17(4-6-18)24-29-22-13-21(16-32-11-9-31(2)10-12-32)36-23(22)25(30-24)33-14-19-7-8-20(15-33)35-19/h3-6,13,19-20H,7-12,14-16H2,1-2H3,(H2,27,28,34)	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	322	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304672 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES OCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C21H23N5O3S/c27-9-8-22-21(28)23-14-3-1-13(2-4-14)19-24-17-7-10-30-18(17)20(25-19)26-11-15-5-6-16(12-26)29-15/h1-4,7,10,15-16,27H,5-6,8-9,11-12H2,(H2,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304682 (3-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Oc1cccc(c1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C18H17N3O2S/c22-12-3-1-2-11(8-12)17-19-15-6-7-24-16(15)18(20-17)21-9-13-4-5-14(10-21)23-13/h1-3,6-8,13-14,22H,4-5,9-10H2	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	399	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304669 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C20H21N5O2S/c1-21-20(26)22-13-4-2-12(3-5-13)18-23-16-8-9-28-17(16)19(24-18)25-10-14-6-7-15(11-25)27-14/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(H2,21,22,26)	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	423	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304671 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C21H22FN5O2S/c22-8-9-23-21(28)24-14-3-1-13(2-4-14)19-25-17-7-10-30-18(17)20(26-19)27-11-15-5-6-16(12-27)29-15/h1-4,7,10,15-16H,5-6,8-9,11-12H2,(H2,23,24,28)	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	825	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304679 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-((...) Show SMILES CN1CCN(Cc2cc3nc(nc(N4CC5CCC(C4)O5)c3s2)-c2ccc(NC(=O)NC3CC3)cc2)CC1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C28H35N7O2S/c1-33-10-12-34(13-11-33)17-23-14-24-25(38-23)27(35-15-21-8-9-22(16-35)37-21)32-26(31-24)18-2-4-19(5-3-18)29-28(36)30-20-6-7-20/h2-5,14,20-22H,6-13,15-17H2,1H3,(H2,29,30,36)	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	874	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304670 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:14:15:22:18.19| Show InChI InChI=1S/C21H23N5O2S/c1-2-22-21(27)23-14-5-3-13(4-6-14)19-24-17-9-10-29-18(17)20(25-19)26-11-15-7-8-16(12-26)28-15/h3-6,9-10,15-16H,2,7-8,11-12H2,1H3,(H2,22,23,27)	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304673 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:15:16:23:19.20| Show InChI InChI=1S/C22H23N5O2S/c28-22(24-15-5-6-15)23-14-3-1-13(2-4-14)20-25-18-9-10-30-19(18)21(26-20)27-11-16-7-8-17(12-27)29-16/h1-4,9-10,15-17H,5-8,11-12H2,(H2,23,24,28)	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	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304685 (5-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Nc1ccc(cn1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C17H17N5OS/c18-14-4-1-10(7-19-14)16-20-13-5-6-24-15(13)17(21-16)22-8-11-2-3-12(9-22)23-11/h1,4-7,11-12H,2-3,8-9H2,(H2,18,19)	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	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304688 (CHEMBL596430 | N-(4-(4-(8-oxa-3-azabicyclo[3.2.1]o...) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C20H20N4O2S/c1-12(25)21-14-4-2-13(3-5-14)19-22-17-8-9-27-18(17)20(23-19)24-10-15-6-7-16(11-24)26-15/h2-5,8-9,15-16H,6-7,10-11H2,1H3,(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	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304668 (CHEMBL605915 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C20H20N4O3S/c1-26-20(25)21-13-4-2-12(3-5-13)18-22-16-8-9-28-17(16)19(23-18)24-10-14-6-7-15(11-24)27-14/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50304684 (4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3...) Show SMILES Oc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C18H17N3O2S/c22-12-3-1-11(2-4-12)17-19-15-7-8-24-16(15)18(20-17)21-9-13-5-6-14(10-21)23-13/h1-4,7-8,13-14,22H,5-6,9-10H2	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	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair

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