BDBM50315068 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazine-1-carbonyl)phenyl)urea::CHEMBL1091355

SMILES: CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

InChI Key: InChIKey=SDAKRJNIGMBAAY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315068   

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))	BDBM50315068 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1 Show InChI InChI=1S/C33H40N8O4/c1-39-14-16-40(17-15-39)31(42)24-4-8-26(9-5-24)35-33(43)34-25-6-2-22(3-7-25)29-36-30(23-12-18-44-19-13-23)38-32(37-29)41-27-10-11-28(41)21-45-20-27/h2-9,23,27-28H,10-21H2,1H3,(H2,34,35,43)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 20: 2648-53 (2010) Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315068 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1 Show InChI InChI=1S/C33H40N8O4/c1-39-14-16-40(17-15-39)31(42)24-4-8-26(9-5-24)35-33(43)34-25-6-2-22(3-7-25)29-36-30(23-12-18-44-19-13-23)38-32(37-29)41-27-10-11-28(41)21-45-20-27/h2-9,23,27-28H,10-21H2,1H3,(H2,34,35,43)	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	0.810	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: 2648-53 (2010) Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK
					More data for this Ligand-Target Pair