BDBM50327430 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(4-((4-methylpiperazin-1-yl)methyl)phenyl)urea::CHEMBL1255815

SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1

InChI Key: InChIKey=MEENXBJHESDXRJ-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 = 50327430   

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))	BDBM50327430 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327430 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42)	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	0.800	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 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50327430 (1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3C4CCC3COC4)cc2)CC1 Show InChI InChI=1S/C32H41N9O3/c1-38-12-14-39(15-13-38)20-23-2-6-25(7-3-23)33-32(42)34-26-8-4-24(5-9-26)29-35-30(40-16-18-43-19-17-40)37-31(36-29)41-27-10-11-28(41)22-44-21-27/h2-9,27-28H,10-22H2,1H3,(H2,33,34,42)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma				Bioorg Med Chem Lett 20: 5869-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.104 BindingDB Entry DOI: 10.7270/Q2XP755V
					More data for this Ligand-Target Pair