BDBM50314327 (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-(2-(dimethylamino)ethyl)urea::CHEMBL1092110

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

InChI Key: InChIKey=QLZLMKFQCVKBLY-MSXFZWOLSA-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 = 50314327   

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))	BDBM50314327 ((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...) Show SMILES CN(C)CCNC(=O)Nc1ccc2O\C(=C/c3cn(C)c4nccc(N5CC6CCC(C5)O6)c34)C(=O)c2c1 Show InChI InChI=1S/C28H32N6O4/c1-32(2)11-10-30-28(36)31-18-4-7-23-21(13-18)26(35)24(38-23)12-17-14-33(3)27-25(17)22(8-9-29-27)34-15-19-5-6-20(16-34)37-19/h4,7-9,12-14,19-20H,5-6,10-11,15-16H2,1-3H3,(H2,30,31,36)/b24-12-	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	24	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))	BDBM50314327 ((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...) Show SMILES CN(C)CCNC(=O)Nc1ccc2O\C(=C/c3cn(C)c4nccc(N5CC6CCC(C5)O6)c34)C(=O)c2c1 Show InChI InChI=1S/C28H32N6O4/c1-32(2)11-10-30-28(36)31-18-4-7-23-21(13-18)26(35)24(38-23)12-17-14-33(3)27-25(17)22(8-9-29-27)34-15-19-5-6-20(16-34)37-19/h4,7-9,12-14,19-20H,5-6,10-11,15-16H2,1-3H3,(H2,30,31,36)/b24-12-	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	5.60	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: 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