BDBM50243172 CHEMBL4059989

SMILES: CCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1

InChI Key: InChIKey=ZLSXBRDGZMYGDZ-UHFFFAOYSA-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 = 50243172   

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
p110α/p85α (Homo sapiens (Human))	BDBM50243172 (CHEMBL4059989) Show SMILES CCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C27H26N6O3/c1-2-23(34)18-5-9-20(10-6-18)29-27(35)30-21-11-7-19(8-12-21)25-31-22-4-3-13-28-24(22)26(32-25)33-14-16-36-17-15-33/h3-13H,2,14-17H2,1H3,(H2,29,30,35)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243172 (CHEMBL4059989) Show SMILES CCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C27H26N6O3/c1-2-23(34)18-5-9-20(10-6-18)29-27(35)30-21-11-7-19(8-12-21)25-31-22-4-3-13-28-24(22)26(32-25)33-14-16-36-17-15-33/h3-13H,2,14-17H2,1H3,(H2,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair