null

SMILES: CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2

InChI Key: InChIKey=VKSCSFHLPAAEGS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50303284   

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))	BDBM50303284 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...) Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C30H36N10O2/c1-3-40-29-25(17-32-40)28(39-18-23-9-10-24(19-39)42-23)35-27(36-29)20-4-6-21(7-5-20)33-30(41)34-22-8-11-26(31-16-22)38-14-12-37(2)13-15-38/h4-8,11,16-17,23-24H,3,9-10,12-15,18-19H2,1-2H3,(H2,33,34,41)	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	196	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))	BDBM50303284 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...) Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C30H36N10O2/c1-3-40-29-25(17-32-40)28(39-18-23-9-10-24(19-39)42-23)35-27(36-29)20-4-6-21(7-5-20)33-30(41)34-22-8-11-26(31-16-22)38-14-12-37(2)13-15-38/h4-8,11,16-17,23-24H,3,9-10,12-15,18-19H2,1-2H3,(H2,33,34,41)	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 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