BDBM50469462 CHEMBL4292392

SMILES: Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CC1COC2)N1C2CC1COC2

InChI Key: InChIKey=JHXHDERKRXRTTN-UHFFFAOYSA-N

Data: 2 KI

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 = 50469462   

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))	BDBM50469462 (CHEMBL4292392) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CC1COC2)N1C2CC1COC2 Show InChI InChI=1S/C19H21F2N7O2/c20-16(21)13-3-15(22)23-4-14(13)17-24-18(27-9-1-10(27)6-29-5-9)26-19(25-17)28-11-2-12(28)8-30-7-11/h3-4,9-12,16H,1-2,5-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	551	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50469462 (CHEMBL4292392) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CC1COC2)N1C2CC1COC2 Show InChI InChI=1S/C19H21F2N7O2/c20-16(21)13-3-15(22)23-4-14(13)17-24-18(27-9-1-10(27)6-29-5-9)26-19(25-17)28-11-2-12(28)8-30-7-11/h3-4,9-12,16H,1-2,5-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair