Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50031082   

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))	BDBM50306640 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1)Nc1cccnc1 Show InChI InChI=1S/C31H34N8O4/c40-30(35-22-2-1-13-32-16-22)34-21-5-3-20(4-6-21)27-36-28(38-18-24-7-8-25(19-38)43-24)26-17-33-39(29(26)37-27)23-9-11-31(12-10-23)41-14-15-42-31/h1-6,13,16-17,23-25H,7-12,14-15,18-19H2,(H2,34,35,40)	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	0.120	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306639 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C31H34N8O4/c40-30(35-22-9-13-32-14-10-22)34-21-3-1-20(2-4-21)27-36-28(38-18-24-5-6-25(19-38)43-24)26-17-33-39(29(26)37-27)23-7-11-31(12-8-23)41-15-16-42-31/h1-4,9-10,13-14,17,23-25H,5-8,11-12,15-16,18-19H2,(H2,32,34,35,40)	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	0.120	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306624 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-is...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C(C)C)c2n1 Show InChI InChI=1S/C22H27N7O2/c1-13(2)29-21-18(10-24-29)20(28-11-16-8-9-17(12-28)31-16)26-19(27-21)14-4-6-15(7-5-14)25-22(30)23-3/h4-7,10,13,16-17H,8-9,11-12H2,1-3H3,(H2,23,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306638 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C32H35N7O4/c40-31(34-22-4-2-1-3-5-22)35-23-8-6-21(7-9-23)28-36-29(38-19-25-10-11-26(20-38)43-25)27-18-33-39(30(27)37-28)24-12-14-32(15-13-24)41-16-17-42-32/h1-9,18,24-26H,10-17,19-20H2,(H2,34,35,40)	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	0.160	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306620 (CHEMBL606423 | isopropyl 4-(4-(8-oxa-3-azabicyclo[...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1 Show InChI InChI=1S/C28H36N8O4/c1-17(2)39-28(38)34-12-10-20(11-13-34)36-26-23(14-30-36)25(35-15-21-8-9-22(16-35)40-21)32-24(33-26)18-4-6-19(7-5-18)31-27(37)29-3/h4-7,14,17,20-22H,8-13,15-16H2,1-3H3,(H2,29,31,37)	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	0.190	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306633 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	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	0.210	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50300066 (CHEMBL568259 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 Show InChI InChI=1S/C26H32N8O4/c1-27-25(35)29-17-5-3-16(4-6-17)22-30-23(33-14-19-7-8-20(15-33)38-19)21-13-28-34(24(21)31-22)18-9-11-32(12-10-18)26(36)37-2/h3-6,13,18-20H,7-12,14-15H2,1-2H3,(H2,27,29,35)	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	0.220	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306637 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C29H35N7O4/c37-28(32-20-5-6-20)31-19-3-1-18(2-4-19)25-33-26(35-16-22-7-8-23(17-35)40-22)24-15-30-36(27(24)34-25)21-9-11-29(12-10-21)38-13-14-39-29/h1-4,15,20-23H,5-14,16-17H2,(H2,31,32,37)	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	0.220	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306636 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C28H34FN7O4/c29-11-12-30-27(37)32-19-3-1-18(2-4-19)24-33-25(35-16-21-5-6-22(17-35)40-21)23-15-31-36(26(23)34-24)20-7-9-28(10-8-20)38-13-14-39-28/h1-4,15,20-22H,5-14,16-17H2,(H2,30,32,37)	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	0.220	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306627 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC(=O)CC3)c2n1 Show InChI InChI=1S/C25H29N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17,19-20H,6-11,13-14H2,1H3,(H2,26,28,34)	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	0.220	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306628 (CHEMBL610630 | trans-1-(4-(4-(8-oxa-3-azabicyclo[3...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.28,wD:29.32,(3.02,-14.8,;4.36,-15.56,;5.68,-14.79,;5.68,-13.25,;7.02,-15.55,;8.35,-14.78,;8.35,-13.24,;9.67,-12.47,;11.01,-13.24,;11.01,-14.77,;9.69,-15.55,;12.33,-12.47,;12.33,-10.92,;13.67,-10.15,;13.67,-8.59,;12.33,-7.83,;12.33,-6.27,;12.92,-4.89,;14.43,-4.89,;15.02,-6.27,;15.02,-7.83,;13.67,-5.5,;15.02,-10.92,;16.48,-10.43,;17.4,-11.68,;16.49,-12.93,;16.97,-14.39,;18.51,-14.4,;19.27,-15.74,;18.48,-17.07,;19.24,-18.41,;16.94,-17.05,;16.19,-15.72,;15.02,-12.46,;13.67,-13.24,)| Show InChI InChI=1S/C25H31N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17-20,33H,6-11,13-14H2,1H3,(H2,26,28,34)/t17-,18-,19?,20?	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	0.240	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306635 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C28H35N7O4/c1-2-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)	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	0.260	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306621 (CHEMBL600084 | tert-butyl 4-(4-(8-oxa-3-azabicyclo...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1 Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)35-13-11-20(12-14-35)37-26-23(15-31-37)25(36-16-21-9-10-22(17-36)40-21)33-24(34-26)18-5-7-19(8-6-18)32-27(38)30-4/h5-8,15,20-22H,9-14,16-17H2,1-4H3,(H2,30,32,38)	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	0.260	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306629 (CHEMBL606621 | cis-1-(4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.28,29.32,(3.05,-14.78,;4.38,-15.55,;5.71,-14.77,;5.7,-13.24,;7.04,-15.54,;8.37,-14.77,;8.37,-13.23,;9.7,-12.46,;11.03,-13.23,;11.04,-14.76,;9.71,-15.53,;12.36,-12.45,;12.36,-10.9,;13.7,-10.13,;13.7,-8.58,;12.36,-7.81,;12.36,-6.26,;12.94,-4.86,;14.45,-4.86,;15.04,-6.26,;15.04,-7.81,;13.7,-5.5,;15.04,-10.9,;16.51,-10.42,;17.42,-11.67,;16.52,-12.92,;17,-14.38,;16.19,-15.69,;16.92,-17.04,;18.46,-17.08,;19.19,-18.44,;19.26,-15.77,;18.53,-14.41,;15.04,-12.45,;13.7,-13.22,)| Show InChI InChI=1S/C25H31N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17-20,33H,6-11,13-14H2,1H3,(H2,26,28,34)/t17-,18+,19?,20?	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	0.300	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306631 (CHEMBL601445 | cis-1-(4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@@H]3CC[C@@H](CC3)OC)c2n1 |r,wU:26.28,29.35,(3.04,-14.26,;4.37,-15.02,;5.7,-14.25,;5.7,-12.71,;7.04,-15.01,;8.37,-14.24,;8.36,-12.7,;9.69,-11.93,;11.03,-12.7,;11.03,-14.23,;9.71,-15.01,;12.35,-11.93,;12.35,-10.38,;13.69,-9.61,;13.69,-8.05,;12.35,-7.28,;12.35,-5.73,;12.94,-4.34,;14.45,-4.34,;15.04,-5.73,;15.04,-7.28,;13.69,-4.96,;15.04,-10.38,;16.5,-9.89,;17.42,-11.14,;16.51,-12.39,;16.99,-13.85,;16.19,-15.17,;16.93,-16.51,;18.47,-16.55,;19.27,-15.23,;18.53,-13.88,;19.21,-17.9,;18.41,-19.22,;15.04,-11.92,;13.69,-12.7,)| Show InChI InChI=1S/C26H33N7O3/c1-27-26(34)29-17-5-3-16(4-6-17)23-30-24(32-14-20-11-12-21(15-32)36-20)22-13-28-33(25(22)31-23)18-7-9-19(35-2)10-8-18/h3-6,13,18-21H,7-12,14-15H2,1-2H3,(H2,27,29,34)/t18-,19+,20?,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306630 (CHEMBL602276 | trans-1-(4-(4-(8-oxa-3-azabicyclo[3...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@H]3CC[C@@H](CC3)OC)c2n1 |r,wU:26.28,wD:29.35,(2.25,-14.82,;3.57,-15.58,;4.9,-14.81,;4.9,-13.27,;6.23,-15.57,;7.56,-14.8,;7.56,-13.26,;8.89,-12.49,;10.22,-13.26,;10.23,-14.79,;8.91,-15.57,;11.55,-12.49,;11.55,-10.93,;12.89,-10.17,;12.89,-8.61,;11.55,-7.84,;11.55,-6.29,;12.13,-4.9,;13.65,-4.9,;14.23,-6.29,;14.23,-7.84,;12.89,-5.52,;14.23,-10.93,;15.7,-10.45,;16.61,-11.7,;15.71,-12.95,;16.19,-14.41,;17.72,-14.39,;18.5,-15.73,;17.74,-17.07,;16.2,-17.07,;15.43,-15.75,;18.52,-18.4,;20.06,-18.39,;14.24,-12.48,;12.89,-13.26,)| Show InChI InChI=1S/C26H33N7O3/c1-27-26(34)29-17-5-3-16(4-6-17)23-30-24(32-14-20-11-12-21(15-32)36-20)22-13-28-33(25(22)31-23)18-7-9-19(35-2)10-8-18/h3-6,13,18-21H,7-12,14-15H2,1-2H3,(H2,27,29,34)/t18-,19-,20?,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50300097 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC(F)(F)F)c2n1 Show InChI InChI=1S/C21H22F3N7O2/c1-25-20(32)27-13-4-2-12(3-5-13)17-28-18(30-9-14-6-7-15(10-30)33-14)16-8-26-31(19(16)29-17)11-21(22,23)24/h2-5,8,14-15H,6-7,9-11H2,1H3,(H2,25,27,32)	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	0.5	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306632 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC(CC3)(OC)OC)c2n1 Show InChI InChI=1S/C27H35N7O4/c1-28-26(35)30-18-6-4-17(5-7-18)23-31-24(33-15-20-8-9-21(16-33)38-20)22-14-29-34(25(22)32-23)19-10-12-27(36-2,37-3)13-11-19/h4-7,14,19-21H,8-13,15-16H2,1-3H3,(H2,28,30,35)	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	0.740	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306623 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...) Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)NC)cc1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C21H25N7O2/c1-3-28-20-17(10-23-28)19(27-11-15-8-9-16(12-27)30-15)25-18(26-20)13-4-6-14(7-5-13)24-21(29)22-2/h4-7,10,15-16H,3,8-9,11-12H2,1-2H3,(H2,22,24,29)	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	0.740	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306634 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCCO4)c2n1 Show InChI InChI=1S/C28H35N7O4/c1-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-2-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)	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	1.19	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306622 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-me...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C)c2n1 Show InChI InChI=1S/C20H23N7O2/c1-21-20(28)23-13-5-3-12(4-6-13)17-24-18-16(9-22-26(18)2)19(25-17)27-10-14-7-8-15(11-27)29-14/h3-6,9,14-15H,7-8,10-11H2,1-2H3,(H2,21,23,28)	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	1.34	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306625 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCO)c2n1 Show InChI InChI=1S/C21H25N7O3/c1-22-21(30)24-14-4-2-13(3-5-14)18-25-19(27-11-15-6-7-16(12-27)31-15)17-10-23-28(8-9-29)20(17)26-18/h2-5,10,15-16,29H,6-9,11-12H2,1H3,(H2,22,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50306626 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCN(C)C)c2n1 Show InChI InChI=1S/C23H30N8O2/c1-24-23(32)26-16-6-4-15(5-7-16)20-27-21(30-13-17-8-9-18(14-30)33-17)19-12-25-31(22(19)28-20)11-10-29(2)3/h4-7,12,17-18H,8-11,13-14H2,1-3H3,(H2,24,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306639 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C31H34N8O4/c40-30(35-22-9-13-32-14-10-22)34-21-3-1-20(2-4-21)27-36-28(38-18-24-5-6-25(19-38)43-24)26-17-33-39(29(26)37-27)23-7-11-31(12-8-23)41-15-16-42-31/h1-4,9-10,13-14,17,23-25H,5-8,11-12,15-16,18-19H2,(H2,32,34,35,40)	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	220	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306629 (CHEMBL606621 | cis-1-(4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.28,29.32,(3.05,-14.78,;4.38,-15.55,;5.71,-14.77,;5.7,-13.24,;7.04,-15.54,;8.37,-14.77,;8.37,-13.23,;9.7,-12.46,;11.03,-13.23,;11.04,-14.76,;9.71,-15.53,;12.36,-12.45,;12.36,-10.9,;13.7,-10.13,;13.7,-8.58,;12.36,-7.81,;12.36,-6.26,;12.94,-4.86,;14.45,-4.86,;15.04,-6.26,;15.04,-7.81,;13.7,-5.5,;15.04,-10.9,;16.51,-10.42,;17.42,-11.67,;16.52,-12.92,;17,-14.38,;16.19,-15.69,;16.92,-17.04,;18.46,-17.08,;19.19,-18.44,;19.26,-15.77,;18.53,-14.41,;15.04,-12.45,;13.7,-13.22,)| Show InChI InChI=1S/C25H31N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17-20,33H,6-11,13-14H2,1H3,(H2,26,28,34)/t17-,18+,19?,20?	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	227	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306624 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-is...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C(C)C)c2n1 Show InChI InChI=1S/C22H27N7O2/c1-13(2)29-21-18(10-24-29)20(28-11-16-8-9-17(12-28)31-16)26-19(27-21)14-4-6-15(7-5-14)25-22(30)23-3/h4-7,10,13,16-17H,8-9,11-12H2,1-3H3,(H2,23,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306622 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-me...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C)c2n1 Show InChI InChI=1S/C20H23N7O2/c1-21-20(28)23-13-5-3-12(4-6-13)17-24-18-16(9-22-26(18)2)19(25-17)27-10-14-7-8-15(11-27)29-14/h3-6,9,14-15H,7-8,10-11H2,1-2H3,(H2,21,23,28)	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	247	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306623 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...) Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)NC)cc1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C21H25N7O2/c1-3-28-20-17(10-23-28)19(27-11-15-8-9-16(12-27)30-15)25-18(26-20)13-4-6-14(7-5-13)24-21(29)22-2/h4-7,10,15-16H,3,8-9,11-12H2,1-2H3,(H2,22,24,29)	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	270	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306640 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1)Nc1cccnc1 Show InChI InChI=1S/C31H34N8O4/c40-30(35-22-2-1-13-32-16-22)34-21-5-3-20(4-6-21)27-36-28(38-18-24-7-8-25(19-38)43-24)26-17-33-39(29(26)37-27)23-9-11-31(12-10-23)41-14-15-42-31/h1-6,13,16-17,23-25H,7-12,14-15,18-19H2,(H2,34,35,40)	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	270	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306634 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCCO4)c2n1 Show InChI InChI=1S/C28H35N7O4/c1-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-2-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)	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	305	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306638 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C32H35N7O4/c40-31(34-22-4-2-1-3-5-22)35-23-8-6-21(7-9-23)28-36-29(38-19-25-10-11-26(20-38)43-25)27-18-33-39(30(27)37-28)24-12-14-32(15-13-24)41-16-17-42-32/h1-9,18,24-26H,10-17,19-20H2,(H2,34,35,40)	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	353	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306625 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCO)c2n1 Show InChI InChI=1S/C21H25N7O3/c1-22-21(30)24-14-4-2-13(3-5-14)18-25-19(27-11-15-6-7-16(12-27)31-15)17-10-23-28(8-9-29)20(17)26-18/h2-5,10,15-16,29H,6-9,11-12H2,1H3,(H2,22,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	375	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306632 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC(CC3)(OC)OC)c2n1 Show InChI InChI=1S/C27H35N7O4/c1-28-26(35)30-18-6-4-17(5-7-18)23-31-24(33-15-20-8-9-21(16-33)38-20)22-14-29-34(25(22)32-23)19-10-12-27(36-2,37-3)13-11-19/h4-7,14,19-21H,8-13,15-16H2,1-3H3,(H2,28,30,35)	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	648	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306631 (CHEMBL601445 | cis-1-(4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@@H]3CC[C@@H](CC3)OC)c2n1 |r,wU:26.28,29.35,(3.04,-14.26,;4.37,-15.02,;5.7,-14.25,;5.7,-12.71,;7.04,-15.01,;8.37,-14.24,;8.36,-12.7,;9.69,-11.93,;11.03,-12.7,;11.03,-14.23,;9.71,-15.01,;12.35,-11.93,;12.35,-10.38,;13.69,-9.61,;13.69,-8.05,;12.35,-7.28,;12.35,-5.73,;12.94,-4.34,;14.45,-4.34,;15.04,-5.73,;15.04,-7.28,;13.69,-4.96,;15.04,-10.38,;16.5,-9.89,;17.42,-11.14,;16.51,-12.39,;16.99,-13.85,;16.19,-15.17,;16.93,-16.51,;18.47,-16.55,;19.27,-15.23,;18.53,-13.88,;19.21,-17.9,;18.41,-19.22,;15.04,-11.92,;13.69,-12.7,)| Show InChI InChI=1S/C26H33N7O3/c1-27-26(34)29-17-5-3-16(4-6-17)23-30-24(32-14-20-11-12-21(15-32)36-20)22-13-28-33(25(22)31-23)18-7-9-19(35-2)10-8-18/h3-6,13,18-21H,7-12,14-15H2,1-2H3,(H2,27,29,34)/t18-,19+,20?,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	705	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306628 (CHEMBL610630 | trans-1-(4-(4-(8-oxa-3-azabicyclo[3...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.28,wD:29.32,(3.02,-14.8,;4.36,-15.56,;5.68,-14.79,;5.68,-13.25,;7.02,-15.55,;8.35,-14.78,;8.35,-13.24,;9.67,-12.47,;11.01,-13.24,;11.01,-14.77,;9.69,-15.55,;12.33,-12.47,;12.33,-10.92,;13.67,-10.15,;13.67,-8.59,;12.33,-7.83,;12.33,-6.27,;12.92,-4.89,;14.43,-4.89,;15.02,-6.27,;15.02,-7.83,;13.67,-5.5,;15.02,-10.92,;16.48,-10.43,;17.4,-11.68,;16.49,-12.93,;16.97,-14.39,;18.51,-14.4,;19.27,-15.74,;18.48,-17.07,;19.24,-18.41,;16.94,-17.05,;16.19,-15.72,;15.02,-12.46,;13.67,-13.24,)| Show InChI InChI=1S/C25H31N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17-20,33H,6-11,13-14H2,1H3,(H2,26,28,34)/t17-,18-,19?,20?	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	882	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306626 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCN(C)C)c2n1 Show InChI InChI=1S/C23H30N8O2/c1-24-23(32)26-16-6-4-15(5-7-16)20-27-21(30-13-17-8-9-18(14-30)33-17)19-12-25-31(22(19)28-20)11-10-29(2)3/h4-7,12,17-18H,8-11,13-14H2,1-3H3,(H2,24,26,32)	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	966	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306630 (CHEMBL602276 | trans-1-(4-(4-(8-oxa-3-azabicyclo[3...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@H]3CC[C@@H](CC3)OC)c2n1 |r,wU:26.28,wD:29.35,(2.25,-14.82,;3.57,-15.58,;4.9,-14.81,;4.9,-13.27,;6.23,-15.57,;7.56,-14.8,;7.56,-13.26,;8.89,-12.49,;10.22,-13.26,;10.23,-14.79,;8.91,-15.57,;11.55,-12.49,;11.55,-10.93,;12.89,-10.17,;12.89,-8.61,;11.55,-7.84,;11.55,-6.29,;12.13,-4.9,;13.65,-4.9,;14.23,-6.29,;14.23,-7.84,;12.89,-5.52,;14.23,-10.93,;15.7,-10.45,;16.61,-11.7,;15.71,-12.95,;16.19,-14.41,;17.72,-14.39,;18.5,-15.73,;17.74,-17.07,;16.2,-17.07,;15.43,-15.75,;18.52,-18.4,;20.06,-18.39,;14.24,-12.48,;12.89,-13.26,)| Show InChI InChI=1S/C26H33N7O3/c1-27-26(34)29-17-5-3-16(4-6-17)23-30-24(32-14-20-11-12-21(15-32)36-20)22-13-28-33(25(22)31-23)18-7-9-19(35-2)10-8-18/h3-6,13,18-21H,7-12,14-15H2,1-2H3,(H2,27,29,34)/t18-,19-,20?,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306633 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	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	1.18E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306627 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC(=O)CC3)c2n1 Show InChI InChI=1S/C25H29N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17,19-20H,6-11,13-14H2,1H3,(H2,26,28,34)	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	1.30E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306621 (CHEMBL600084 | tert-butyl 4-(4-(8-oxa-3-azabicyclo...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1 Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)35-13-11-20(12-14-35)37-26-23(15-31-37)25(36-16-21-9-10-22(17-36)40-21)33-24(34-26)18-5-7-19(8-6-18)32-27(38)30-4/h5-8,15,20-22H,9-14,16-17H2,1-4H3,(H2,30,32,38)	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	1.48E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50300097 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC(F)(F)F)c2n1 Show InChI InChI=1S/C21H22F3N7O2/c1-25-20(32)27-13-4-2-12(3-5-13)17-28-18(30-9-14-6-7-15(10-30)33-14)16-8-26-31(19(16)29-17)11-21(22,23)24/h2-5,8,14-15H,6-7,9-11H2,1H3,(H2,25,27,32)	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	1.62E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50300066 (CHEMBL568259 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC)c2n1 Show InChI InChI=1S/C26H32N8O4/c1-27-25(35)29-17-5-3-16(4-6-17)22-30-23(33-14-19-7-8-20(15-33)38-19)21-13-28-34(24(21)31-22)18-9-11-32(12-10-18)26(36)37-2/h3-6,13,18-20H,7-12,14-15H2,1-2H3,(H2,27,29,35)	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	1.80E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306620 (CHEMBL606423 | isopropyl 4-(4-(8-oxa-3-azabicyclo[...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1 Show InChI InChI=1S/C28H36N8O4/c1-17(2)39-28(38)34-12-10-20(11-13-34)36-26-23(14-30-36)25(35-15-21-8-9-22(16-35)40-21)32-24(33-26)18-4-6-19(7-5-18)31-27(37)29-3/h4-7,14,17,20-22H,8-13,15-16H2,1-3H3,(H2,29,31,37)	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	2.02E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306635 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C28H35N7O4/c1-2-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)	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	4.58E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306636 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C28H34FN7O4/c29-11-12-30-27(37)32-19-3-1-18(2-4-19)24-33-25(35-16-21-5-6-22(17-35)40-21)23-15-31-36(26(23)34-24)20-7-9-28(10-8-20)38-13-14-39-28/h1-4,15,20-22H,5-14,16-17H2,(H2,30,32,37)	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	5.13E+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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50306637 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...) Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1 Show InChI InChI=1S/C29H35N7O4/c37-28(32-20-5-6-20)31-19-3-1-18(2-4-19)25-33-26(35-16-22-7-8-23(17-35)40-22)24-15-30-36(27(24)34-25)21-9-11-29(12-10-21)38-13-14-39-29/h1-4,15,20-23H,5-14,16-17H2,(H2,31,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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: 1440-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.086 BindingDB Entry DOI: 10.7270/Q2S46S2T
					More data for this Ligand-Target Pair