BDBM50315081 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(4-(2-(dimethylamino)ethoxy)phenyl)urea::CHEMBL1091715

SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)cc1)N1C2CCC1COC2

InChI Key: InChIKey=NUUSKGDTQXETAP-ZUOMXFFYSA-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 = 50315081   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315081 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)cc1)N1C2CCC1COC2 |r| Show InChI InChI=1S/C31H40N8O4/c1-21-18-41-16-15-38(21)29-34-28(35-30(36-29)39-25-10-11-26(39)20-42-19-25)22-4-6-23(7-5-22)32-31(40)33-24-8-12-27(13-9-24)43-17-14-37(2)3/h4-9,12-13,21,25-26H,10-11,14-20H2,1-3H3,(H2,32,33,40)/t21-,25?,26?/m1/s1	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	1.70	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315081 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)cc1)N1C2CCC1COC2 |r| Show InChI InChI=1S/C31H40N8O4/c1-21-18-41-16-15-38(21)29-34-28(35-30(36-29)39-25-10-11-26(39)20-42-19-25)22-4-6-23(7-5-22)32-31(40)33-24-8-12-27(13-9-24)43-17-14-37(2)3/h4-9,12-13,21,25-26H,10-11,14-20H2,1-3H3,(H2,32,33,40)/t21-,25?,26?/m1/s1	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	610	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