Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50031550   

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 (Rattus norvegicus)	BDBM50315219 (1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:18:30:37:33.34,20:22:29:25.26| Show InChI InChI=1S/C27H30N8O3/c36-27(30-19-9-11-28-12-10-19)29-18-3-1-17(2-4-18)24-31-25(34-13-20-5-6-21(14-34)37-20)33-26(32-24)35-15-22-7-8-23(16-35)38-22/h1-4,9-12,20-23H,5-8,13-16H2,(H2,28,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315047 (1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-26-10-11-27(41)19-44-18-26)38-32(37-30)42-28-12-13-29(42)21-45-20-28/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315209 (1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CC3CCC(C2)O3)N2CC3CCC(C2)O3)cc1 |TLB:25:27:34:30.31,23:35:42:38.39| Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-18-26-10-11-27(19-41)44-26)38-32(37-30)42-20-28-12-13-29(21-42)45-28/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315212 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(3...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CC3CCC(C2)O3)N2C3CCC2COC3)cc1 |TLB:25:27:34:30.31| Show InChI InChI=1S/C33H41N9O3/c1-39-14-16-40(17-15-39)25-8-6-24(7-9-25)35-33(43)34-23-4-2-22(3-5-23)30-36-31(41-18-28-12-13-29(19-41)45-28)38-32(37-30)42-26-10-11-27(42)21-44-20-26/h2-9,26-29H,10-21H2,1H3,(H2,34,35,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315216 (1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...) Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:15:17:24:20.21,13:25:32:28.29| Show InChI InChI=1S/C23H29N7O3/c1-24-23(31)25-15-4-2-14(3-5-15)20-26-21(29-10-16-6-7-17(11-29)32-16)28-22(27-20)30-12-18-8-9-19(13-30)33-18/h2-5,16-19H,6-13H2,1H3,(H2,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315218 (1-cyclopropyl-3-(4-(4,6-di(8-oxa-3-azabicyclo[3.2....) Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:17:19:26:22.23,15:27:34:30.31| Show InChI InChI=1S/C25H31N7O3/c33-25(27-17-5-6-17)26-16-3-1-15(2-4-16)22-28-23(31-11-18-7-8-19(12-31)34-18)30-24(29-22)32-13-20-9-10-21(14-32)35-20/h1-4,17-21H,5-14H2,(H2,26,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315217 (1-(4-(4,6-di(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:16:18:25:21.22,14:26:33:29.30| Show InChI InChI=1S/C24H31N7O3/c1-2-25-24(32)26-16-5-3-15(4-6-16)21-27-22(30-11-17-7-8-18(12-30)33-17)29-23(28-21)31-13-19-9-10-20(14-31)34-19/h3-6,17-20H,2,7-14H2,1H3,(H2,25,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315211 (1-(4-(4,6-di((1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C[C@@H]3C[C@H]2CO3)N2C[C@@H]3C[C@H]2CO3)cc1 |r,TLB:23:34:37:39.40,25:27:30:32.33| Show InChI InChI=1S/C31H37N9O3/c1-37-10-12-38(13-11-37)23-8-6-22(7-9-23)33-31(41)32-21-4-2-20(3-5-21)28-34-29(39-16-26-14-24(39)18-42-26)36-30(35-28)40-17-27-15-25(40)19-43-27/h2-9,24-27H,10-19H2,1H3,(H2,32,33,41)/t24-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315214 (3,3'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2 |TLB:16:18:25:21.22,14:26:33:29.30| Show InChI InChI=1S/C23H25F2N7O2/c24-19(25)20-26-17-3-1-2-4-18(17)32(20)23-28-21(30-9-13-5-6-14(10-30)33-13)27-22(29-23)31-11-15-7-8-16(12-31)34-15/h1-4,13-16,19H,5-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315215 (3-(4-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCOCC1 |TLB:16:18:25:21.22| Show InChI InChI=1S/C21H23F2N7O2/c22-17(23)18-24-15-3-1-2-4-16(15)30(18)21-26-19(28-7-9-31-10-8-28)25-20(27-21)29-11-13-5-6-14(12-29)32-13/h1-4,13-14,17H,5-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Rattus norvegicus)	BDBM50315210 (1-(4-(4,6-di((1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C[C@H]3C[C@@H]2CO3)N2C[C@H]3C[C@@H]2CO3)cc1 |r,THB:25:27:30:33.32| Show InChI InChI=1S/C31H37N9O3/c1-37-10-12-38(13-11-37)23-8-6-22(7-9-23)33-31(41)32-21-4-2-20(3-5-21)28-34-29(39-16-26-14-24(39)18-42-26)36-30(35-28)40-17-27-15-25(40)19-43-27/h2-9,24-27H,10-19H2,1H3,(H2,32,33,41)/t24-,25-,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair