BDBM50349628 CHEMBL1808986

SMILES: CC(C)Oc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1

InChI Key: InChIKey=MSLMLOUWBRFGOO-UHFFFAOYSA-N

Data: 3 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 = 50349628   

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))	BDBM50349628 (CHEMBL1808986) Show SMILES CC(C)Oc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H38N8O4/c1-20(2)41-29-33-25(32-27(34-29)37-16-18-40-19-17-37)21-6-10-23(11-7-21)30-28(39)31-24-12-8-22(9-13-24)26(38)36(5)15-14-35(3)4/h6-13,20H,14-19H2,1-5H3,(H2,30,31,39)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50349628 (CHEMBL1808986) Show SMILES CC(C)Oc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H38N8O4/c1-20(2)41-29-33-25(32-27(34-29)37-16-18-40-19-17-37)21-6-10-23(11-7-21)30-28(39)31-24-12-8-22(9-13-24)26(38)36(5)15-14-35(3)4/h6-13,20H,14-19H2,1-5H3,(H2,30,31,39)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50349628 (CHEMBL1808986) Show SMILES CC(C)Oc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N(C)CCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C29H38N8O4/c1-20(2)41-29-33-25(32-27(34-29)37-16-18-40-19-17-37)21-6-10-23(11-7-21)30-28(39)31-24-12-8-22(9-13-24)26(38)36(5)15-14-35(3)4/h6-13,20H,14-19H2,1-5H3,(H2,30,31,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4773-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.063 BindingDB Entry DOI: 10.7270/Q20C4W4G
					More data for this Ligand-Target Pair