BDBM50315059 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(isopropyl(methyl)amino)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea::CHEMBL1091346

SMILES: CC(C)N(C)c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1C2CCC1COC2

InChI Key: InChIKey=DWZMKBJNBGZSNL-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 = 50315059   

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))	BDBM50315059 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(i...) Show SMILES CC(C)N(C)c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1C2CCC1COC2 Show InChI InChI=1S/C31H41N9O2/c1-21(2)38(4)29-34-28(35-30(36-29)40-26-13-14-27(40)20-42-19-26)22-5-7-23(8-6-22)32-31(41)33-24-9-11-25(12-10-24)39-17-15-37(3)16-18-39/h5-12,21,26-27H,13-20H2,1-4H3,(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	4.77E+3	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))	BDBM50315059 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(i...) Show SMILES CC(C)N(C)c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1C2CCC1COC2 Show InChI InChI=1S/C31H41N9O2/c1-21(2)38(4)29-34-28(35-30(36-29)40-26-13-14-27(40)20-42-19-26)22-5-7-23(8-6-22)32-31(41)33-24-9-11-25(12-10-24)39-17-15-37(3)16-18-39/h5-12,21,26-27H,13-20H2,1-4H3,(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	6.60	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