null

SMILES: COC1CCN(C1)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12

InChI Key: InChIKey=QEZWCJGAMDEIKI-MWLSYYOVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314339   

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))	BDBM50314339 ((Z)-1-(2-((4-(4-(3-methoxypyrrolidine-1-carbonyl)p...) Show SMILES COC1CCN(C1)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12 Show InChI InChI=1S/C34H35N7O5/c1-39-19-22(16-29-31(42)26-17-23(5-6-28(26)46-29)37-34(44)38-24-4-3-11-35-18-24)30-27(7-12-36-32(30)39)40-13-8-21(9-14-40)33(43)41-15-10-25(20-41)45-2/h3-7,11-12,16-19,21,25H,8-10,13-15,20H2,1-2H3,(H2,37,38,44)/b29-16-	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 2259-63 (2010) Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50314339 ((Z)-1-(2-((4-(4-(3-methoxypyrrolidine-1-carbonyl)p...) Show SMILES COC1CCN(C1)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12 Show InChI InChI=1S/C34H35N7O5/c1-39-19-22(16-29-31(42)26-17-23(5-6-28(26)46-29)37-34(44)38-24-4-3-11-35-18-24)30-27(7-12-36-32(30)39)40-13-8-21(9-14-40)33(43)41-15-10-25(20-41)45-2/h3-7,11-12,16-19,21,25H,8-10,13-15,20H2,1-2H3,(H2,37,38,44)/b29-16-	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	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 2259-63 (2010) Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717
					More data for this Ligand-Target Pair