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SMILES: CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(nc(N)nc12)C#N

InChI Key: InChIKey=KVHYCOKWTQLHLG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50529409   

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))	BDBM50529409 (CHEMBL4440554) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(nc(N)nc12)C#N Show InChI InChI=1S/C16H14N8O/c1-7(2)24-14-12(10(6-17)20-15(18)22-14)13(23-24)8-3-4-11-9(5-8)21-16(19)25-11/h3-5,7H,1-2H3,(H2,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 10: 1561-1567 (2019) Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529409 (CHEMBL4440554) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(nc(N)nc12)C#N Show InChI InChI=1S/C16H14N8O/c1-7(2)24-14-12(10(6-17)20-15(18)22-14)13(23-24)8-3-4-11-9(5-8)21-16(19)25-11/h3-5,7H,1-2H3,(H2,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ...				ACS Med Chem Lett 10: 1561-1567 (2019) Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM
					More data for this Ligand-Target Pair