BDBM50305289 (3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol::CHEMBL604988

SMILES: OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1

InChI Key: InChIKey=PFXAZSDLGHSWGB-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 = 50305289   

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))	BDBM50305289 ((3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morphol...) Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1 Show InChI InChI=1S/C28H31FN6O2/c29-24-7-2-1-5-22(24)17-33-10-8-23(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)21-6-3-4-20(16-21)18-36/h1-7,16,19,23,36H,8-15,17-18H2	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	42	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: 653-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.057 BindingDB Entry DOI: 10.7270/Q2X63N1H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50305289 ((3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morphol...) Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1 Show InChI InChI=1S/C28H31FN6O2/c29-24-7-2-1-5-22(24)17-33-10-8-23(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)21-6-3-4-20(16-21)18-36/h1-7,16,19,23,36H,8-15,17-18H2	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	160	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: 653-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.057 BindingDB Entry DOI: 10.7270/Q2X63N1H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50305289 ((3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morphol...) Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4F)CC3)c2n1 Show InChI InChI=1S/C28H31FN6O2/c29-24-7-2-1-5-22(24)17-33-10-8-23(9-11-33)35-19-30-25-27(34-12-14-37-15-13-34)31-26(32-28(25)35)21-6-3-4-20(16-21)18-36/h1-7,16,19,23,36H,8-15,17-18H2	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma				Bioorg Med Chem Lett 20: 653-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.057 BindingDB Entry DOI: 10.7270/Q2X63N1H
					More data for this Ligand-Target Pair