null

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

InChI Key: InChIKey=UDAWZLGMHSEQAG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303279   

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))	BDBM50303279 (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)C(=O)NN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C29H33N9O3/c1-4-38-27-24(15-30-38)26(37-16-22-13-14-23(17-37)41-22)33-25(34-27)18-5-9-20(10-6-18)31-29(40)32-21-11-7-19(8-12-21)28(39)35-36(2)3/h5-12,15,22-23H,4,13-14,16-17H2,1-3H3,(H,35,39)(H2,31,32,40)	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	109	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))	BDBM50303279 (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)C(=O)NN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C29H33N9O3/c1-4-38-27-24(15-30-38)26(37-16-22-13-14-23(17-37)41-22)33-25(34-27)18-5-9-20(10-6-18)31-29(40)32-21-11-7-19(8-12-21)28(39)35-36(2)3/h5-12,15,22-23H,4,13-14,16-17H2,1-3H3,(H,35,39)(H2,31,32,40)	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	0.300	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