BDBM50243922 CHEMBL4093606

SMILES: FC(F)n1cc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21

InChI Key: InChIKey=YKOZCLDGQZJVLP-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 = 50243922   

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))	BDBM50243922 (CHEMBL4093606) Show SMILES FC(F)n1cc(cn1)-c1cc2c(cc1F)ncc1ncc(=O)n(C3CCN(CC#N)CC3)c21 Show InChI InChI=1S/C22H18F3N7O/c23-17-8-18-16(7-15(17)13-9-29-31(12-13)22(24)25)21-19(10-27-18)28-11-20(33)32(21)14-1-4-30(5-2-14)6-3-26/h7-12,14,22H,1-2,4-6H2	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	56	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