BDBM50314329 (Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-methylurea::CHEMBL1093069

SMILES: CNC(=O)Nc1ccc2O\C(=C/c3cn(C)c4nccc(N5CC6CCC(C5)O6)c34)C(=O)c2c1

InChI Key: InChIKey=SWAWWPBWXKGURA-NKVSQWTQSA-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 = 50314329   

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))	BDBM50314329 ((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...) Show SMILES CNC(=O)Nc1ccc2O\C(=C/c3cn(C)c4nccc(N5CC6CCC(C5)O6)c34)C(=O)c2c1 Show InChI InChI=1S/C25H25N5O4/c1-26-25(32)28-15-3-6-20-18(10-15)23(31)21(34-20)9-14-11-29(2)24-22(14)19(7-8-27-24)30-12-16-4-5-17(13-30)33-16/h3,6-11,16-17H,4-5,12-13H2,1-2H3,(H2,26,28,32)/b21-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 2259-63 (2010) Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50314329 ((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...) Show SMILES CNC(=O)Nc1ccc2O\C(=C/c3cn(C)c4nccc(N5CC6CCC(C5)O6)c34)C(=O)c2c1 Show InChI InChI=1S/C25H25N5O4/c1-26-25(32)28-15-3-6-20-18(10-15)23(31)21(34-20)9-14-11-29(2)24-22(14)19(7-8-27-24)30-12-16-4-5-17(13-30)33-16/h3,6-11,16-17H,4-5,12-13H2,1-2H3,(H2,26,28,32)/b21-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	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: 2259-63 (2010) Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717
					More data for this Ligand-Target Pair