BDBM50243960 CHEMBL4083691

SMILES: NC(=O)N1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(N)nc2)ncc1=O

InChI Key: InChIKey=RUYSDHQWOWKKLI-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 = 50243960   

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))	BDBM50243960 (CHEMBL4083691) Show SMILES NC(=O)N1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(N)nc2)ncc1=O Show InChI InChI=1S/C22H21N7O2/c23-19-4-2-14(10-27-19)13-1-3-17-16(9-13)21-18(11-25-17)26-12-20(30)29(21)15-5-7-28(8-6-15)22(24)31/h1-4,9-12,15H,5-8H2,(H2,23,27)(H2,24,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	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
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