BDBM50314326 (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-phenylurea::CHEMBL1093334

SMILES: Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4ccccc4)cc3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2

InChI Key: InChIKey=IJQUXMBGKVMPBK-ZMFRSBBQSA-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 = 50314326   

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))	BDBM50314326 ((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...) Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4ccccc4)cc3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C30H27N5O4/c1-34-15-18(27-24(11-12-31-29(27)34)35-16-21-8-9-22(17-35)38-21)13-26-28(36)23-14-20(7-10-25(23)39-26)33-30(37)32-19-5-3-2-4-6-19/h2-7,10-15,21-22H,8-9,16-17H2,1H3,(H2,32,33,37)/b26-13-	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	498	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))	BDBM50314326 ((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...) Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4ccccc4)cc3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C30H27N5O4/c1-34-15-18(27-24(11-12-31-29(27)34)35-16-21-8-9-22(17-35)38-21)13-26-28(36)23-14-20(7-10-25(23)39-26)33-30(37)32-19-5-3-2-4-6-19/h2-7,10-15,21-22H,8-9,16-17H2,1H3,(H2,32,33,37)/b26-13-	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	145	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