null

SMILES: CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2

InChI Key: InChIKey=MHEFFNLOVMOWPU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303281   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50303281 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...) Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H34N8O3/c1-2-38-29-26(17-31-38)28(37-18-24-11-12-25(19-37)41-24)34-27(35-29)20-3-5-21(6-4-20)32-30(39)33-22-7-9-23(10-8-22)36-13-15-40-16-14-36/h3-10,17,24-25H,2,11-16,18-19H2,1H3,(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	175	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity to PI3Kalpha by fluorescence polarization assay				Bioorg Med Chem Lett 19: 6830-5 (2009) Article DOI: 10.1016/j.bmcl.2009.10.096 BindingDB Entry DOI: 10.7270/Q2BV7GPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50303281 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...) Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H34N8O3/c1-2-38-29-26(17-31-38)28(37-18-24-11-12-25(19-37)41-24)34-27(35-29)20-3-5-21(6-4-20)32-30(39)33-22-7-9-23(10-8-22)36-13-15-40-16-14-36/h3-10,17,24-25H,2,11-16,18-19H2,1H3,(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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA				Bioorg Med Chem Lett 19: 6830-5 (2009) Article DOI: 10.1016/j.bmcl.2009.10.096 BindingDB Entry DOI: 10.7270/Q2BV7GPR
					More data for this Ligand-Target Pair