BDBM50349622 CHEMBL1808980

SMILES: COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1

InChI Key: InChIKey=MPVZERIWUAYICQ-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 = 50349622   

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))	BDBM50349622 (CHEMBL1808980) Show SMILES COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H32N8O4/c1-33(2)13-12-27-23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11H,12-17H2,1-3H3,(H,27,35)(H2,28,29,36)	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	0.600	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))	BDBM50349622 (CHEMBL1808980) Show SMILES COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H32N8O4/c1-33(2)13-12-27-23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11H,12-17H2,1-3H3,(H,27,35)(H2,28,29,36)	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	5.60	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))	BDBM50349622 (CHEMBL1808980) Show SMILES COc1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C26H32N8O4/c1-33(2)13-12-27-23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11H,12-17H2,1-3H3,(H,27,35)(H2,28,29,36)	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	10.5	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