BDBM50316258 CHEMBL1098244::methyl 4-(6-{4-[(anilinocarbonyl)amino]phenyl}-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

SMILES: COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1

InChI Key: InChIKey=FIUDAJSOKHKCEH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50316258   

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))	BDBM50316258 (CHEMBL1098244 | methyl 4-(6-{4-[(anilinocarbonyl)a...) Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H32N8O4/c1-40-29(39)36-13-11-23(12-14-36)37-27-24(19-30-37)26(35-15-17-41-18-16-35)33-25(34-27)20-7-9-22(10-8-20)32-28(38)31-21-5-3-2-4-6-21/h2-10,19,23H,11-18H2,1H3,(H2,31,32,38)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by DELFIA assay				J Med Chem 52: 8010-24 (2009) Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50316258 (CHEMBL1098244 | methyl 4-(6-{4-[(anilinocarbonyl)a...) Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1 Show InChI InChI=1S/C29H32N8O4/c1-40-29(39)36-13-11-23(12-14-36)37-27-24(19-30-37)26(35-15-17-41-18-16-35)33-25(34-27)20-7-9-22(10-8-20)32-28(38)31-21-5-3-2-4-6-21/h2-10,19,23H,11-18H2,1H3,(H2,31,32,38)	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
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells				J Med Chem 52: 8010-24 (2009) Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF
					More data for this Ligand-Target Pair