BDBM50093068 CHEMBL3586559

SMILES: Cc1nc(ccc1-c1cnc2NCC(=O)N(CCN3CCOCC3)c2n1)-c1nc[nH]n1

InChI Key: InChIKey=SXJWIRIRCLXOIF-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 = 50093068   

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))	BDBM50093068 (CHEMBL3586559) Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCN3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C20H23N9O2/c1-13-14(2-3-15(25-13)18-23-12-24-27-18)16-10-21-19-20(26-16)29(17(30)11-22-19)5-4-28-6-8-31-9-7-28/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)(H,23,24,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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))	BDBM50093068 (CHEMBL3586559) Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCN3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C20H23N9O2/c1-13-14(2-3-15(25-13)18-23-12-24-27-18)16-10-21-19-20(26-16)29(17(30)11-22-19)5-4-28-6-8-31-9-7-28/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)(H,23,24,27)	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	37	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