BDBM50243952 CHEMBL4083349

SMILES: Cn1cc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21

InChI Key: InChIKey=WFVJLSLKMKUNFJ-UHFFFAOYSA-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 = 50243952   

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))	BDBM50243952 (CHEMBL4083349) Show SMILES Cn1cc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C22H20FN7O/c1-28-13-14(10-27-28)16-8-17-19(9-18(16)23)25-11-20-22(17)30(21(31)12-26-20)15-2-5-29(6-3-15)7-4-24/h8-13,15H,2-3,5-7H2,1H3	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues)				J Med Chem 61: 881-904 (2018) Article DOI: 10.1021/acs.jmedchem.7b01402 BindingDB Entry DOI: 10.7270/Q28K7CHW
					More data for this Ligand-Target Pair