BDBM50315060 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-thiomorpholino-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea::CHEMBL1091347

SMILES: CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCSCC2)N2C3CCC2COC3)cc1

InChI Key: InChIKey=NPYFLTXFUHLLOO-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 = 50315060   

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))	BDBM50315060 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-th...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCSCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C31H39N9O2S/c1-37-12-14-38(15-13-37)25-8-6-24(7-9-25)33-31(41)32-23-4-2-22(3-5-23)28-34-29(39-16-18-43-19-17-39)36-30(35-28)40-26-10-11-27(40)21-42-20-26/h2-9,26-27H,10-21H2,1H3,(H2,32,33,41)	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	592	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))	BDBM50315060 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-th...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCSCC2)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C31H39N9O2S/c1-37-12-14-38(15-13-37)25-8-6-24(7-9-25)33-31(41)32-23-4-2-22(3-5-23)28-34-29(39-16-18-43-19-17-39)36-30(35-28)40-26-10-11-27(40)21-42-20-26/h2-9,26-27H,10-21H2,1H3,(H2,32,33,41)	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	8.80	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