BDBM50314330 (Z)-1-methyl-3-(2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-4-yl)urea::CHEMBL1093368

SMILES: CNC(=O)Nc1cccc2O\C(=C/c3cn(C)c4nccc(-c5ccccc5)c34)C(=O)c12

InChI Key: InChIKey=OHMRIQYVXASDES-MOSHPQCFSA-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 = 50314330   

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))	BDBM50314330 ((Z)-1-methyl-3-(2-((1-methyl-4-phenyl-1H-pyrrolo[2...) Show SMILES CNC(=O)Nc1cccc2O\C(=C/c3cn(C)c4nccc(-c5ccccc5)c34)C(=O)c12 Show InChI InChI=1S/C25H20N4O3/c1-26-25(31)28-18-9-6-10-19-22(18)23(30)20(32-19)13-16-14-29(2)24-21(16)17(11-12-27-24)15-7-4-3-5-8-15/h3-14H,1-2H3,(H2,26,28,31)/b20-13-	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	>1.00E+4	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))	BDBM50314330 ((Z)-1-methyl-3-(2-((1-methyl-4-phenyl-1H-pyrrolo[2...) Show SMILES CNC(=O)Nc1cccc2O\C(=C/c3cn(C)c4nccc(-c5ccccc5)c34)C(=O)c12 Show InChI InChI=1S/C25H20N4O3/c1-26-25(31)28-18-9-6-10-19-22(18)23(30)20(32-19)13-16-14-29(2)24-21(16)17(11-12-27-24)15-7-4-3-5-8-15/h3-14H,1-2H3,(H2,26,28,31)/b20-13-	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	3.50E+3	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