BDBM50240984 CHEMBL4068426

SMILES: Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1

InChI Key: InChIKey=CCDWKOPCDXYXLL-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50240984   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240984 (CHEMBL4068426) Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)	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	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50240984 (CHEMBL4068426) Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240984 (CHEMBL4068426) Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)	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	415	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair