BDBM50315210 1-(4-(4,6-di((1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea::CHEMBL1088971

SMILES: CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C[C@H]3C[C@@H]2CO3)N2C[C@H]3C[C@@H]2CO3)cc1

InChI Key: InChIKey=VHMSKBYACVOPGE-FPCALVHFSA-N

Data: 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 1 hit for monomerid = 50315210   

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 (Rattus norvegicus)	BDBM50315210 (1-(4-(4,6-di((1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C[C@H]3C[C@@H]2CO3)N2C[C@H]3C[C@@H]2CO3)cc1 |r,THB:25:27:30:33.32| Show InChI InChI=1S/C31H37N9O3/c1-37-10-12-38(13-11-37)23-8-6-22(7-9-23)33-31(41)32-21-4-2-20(3-5-21)28-34-29(39-16-26-14-24(39)18-42-26)36-30(35-28)40-17-27-15-25(40)19-43-27/h2-9,24-27H,10-19H2,1H3,(H2,32,33,41)/t24-,25-,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 20: 2644-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.045 BindingDB Entry DOI: 10.7270/Q2HQ402X
					More data for this Ligand-Target Pair