null

SMILES: Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1

InChI Key: InChIKey=YXNXKPZWTPLWQK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50093077   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A/Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50093077 (CHEMBL3586568) Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C19H20N8O2/c1-11-13(2-3-14(24-11)17-22-10-23-26-17)15-8-20-18-19(25-15)27(16(28)9-21-18)12-4-6-29-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23,26)	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))	BDBM50093077 (CHEMBL3586568) Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C19H20N8O2/c1-11-13(2-3-14(24-11)17-22-10-23-26-17)15-8-20-18-19(25-15)27(16(28)9-21-18)12-4-6-29-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23,26)	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	26	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