BDBM125422 US8772480, 273

SMILES: COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F

InChI Key: InChIKey=JTIBGKGGRQKKJP-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 125422   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM125422 (US8772480, 273) Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F Show InChI InChI=1S/C18H20FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(2,3)27)7-21-14(12)25-11-6-13(19)16(28-4)22-8-11/h5-8,27H,1-4H3,(H,21,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...				US Patent US8772480 (2014) BindingDB Entry DOI: 10.7270/Q2V123FJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM125422 (US8772480, 273) Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F Show InChI InChI=1S/C18H20FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(2,3)27)7-21-14(12)25-11-6-13(19)16(28-4)22-8-11/h5-8,27H,1-4H3,(H,21,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminally GST-tagged mTOR (1360 to 2549 aa) (unknown origin) assessed as inhibition of 27BP1 phosphorylation after 90 mi...				Bioorg Med Chem Lett 24: 5630-4 (2014) Article DOI: 10.1016/j.bmcl.2014.10.085 BindingDB Entry DOI: 10.7270/Q2GQ70CS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM125422 (US8772480, 273) Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F Show InChI InChI=1S/C18H20FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(2,3)27)7-21-14(12)25-11-6-13(19)16(28-4)22-8-11/h5-8,27H,1-4H3,(H,21,25)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...				US Patent US8772480 (2014) BindingDB Entry DOI: 10.7270/Q2V123FJ
					More data for this Ligand-Target Pair