BDBM50093080 CHEMBL3586571

SMILES: COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1

InChI Key: InChIKey=NVSABGFUPYOXBC-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 = 50093080   

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
Mammalian target of Rapamycin (mTORC1) (Homo sapiens (Human))	BDBM50093080 (CHEMBL3586571) Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr				J Med Chem 58: 5599-608 (2015) Article DOI: 10.1021/acs.jmedchem.5b00627 BindingDB Entry DOI: 10.7270/Q2BG2QRV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50093080 (CHEMBL3586571) Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay				J Med Chem 58: 5599-608 (2015) Article DOI: 10.1021/acs.jmedchem.5b00627 BindingDB Entry DOI: 10.7270/Q2BG2QRV
					More data for this Ligand-Target Pair