BDBM50314350 2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-4-hydroxybenzofuran-3(2H)-one::CHEMBL1090381

SMILES: Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2

InChI Key: InChIKey=JGUNRXYNLMQUNZ-OCKHKDLRSA-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 = 50314350   

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))	BDBM50314350 (2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-meth...) Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C23H21N3O4/c1-25-10-13(9-19-22(28)21-17(27)3-2-4-18(21)30-19)20-16(7-8-24-23(20)25)26-11-14-5-6-15(12-26)29-14/h2-4,7-10,14-15,27H,5-6,11-12H2,1H3/b19-9-	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	104	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: 2321-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50314350 (2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-meth...) Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C23H21N3O4/c1-25-10-13(9-19-22(28)21-17(27)3-2-4-18(21)30-19)20-16(7-8-24-23(20)25)26-11-14-5-6-15(12-26)29-14/h2-4,7-10,14-15,27H,5-6,11-12H2,1H3/b19-9-	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	0.380	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: 2321-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82
					More data for this Ligand-Target Pair