BDBM50315078 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-(4-isopropylpiperazine-1-carbonyl)phenyl)urea::CHEMBL1091713

SMILES: CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@H]2C)N2C3CCC2COC3)cc1

InChI Key: InChIKey=FGHCWWRKFHRERP-URCVZGBWSA-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 = 50315078   

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))	BDBM50315078 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@H]2C)N2C3CCC2COC3)cc1 |r| Show InChI InChI=1S/C35H45N9O4/c1-23(2)41-14-16-42(17-15-41)32(45)26-6-10-28(11-7-26)37-35(46)36-27-8-4-25(5-9-27)31-38-33(43-18-19-47-20-24(43)3)40-34(39-31)44-29-12-13-30(44)22-48-21-29/h4-11,23-24,29-30H,12-22H2,1-3H3,(H2,36,37,46)/t24-,29?,30?/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	102	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))	BDBM50315078 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@H]2C)N2C3CCC2COC3)cc1 |r| Show InChI InChI=1S/C35H45N9O4/c1-23(2)41-14-16-42(17-15-41)32(45)26-6-10-28(11-7-26)37-35(46)36-27-8-4-25(5-9-27)31-38-33(43-18-19-47-20-24(43)3)40-34(39-31)44-29-12-13-30(44)22-48-21-29/h4-11,23-24,29-30H,12-22H2,1-3H3,(H2,36,37,46)/t24-,29?,30?/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	0.420	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