BDBM50316261 CHEMBL1098248::methyl 4-(4-morpholino-6-(4-(3-(4-(2-morpholinoethyl)phenyl)ureido)phenyl)-1Hpyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

SMILES: COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1

InChI Key: InChIKey=BZXCVHXYXYFXQP-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 = 50316261   

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))	BDBM50316261 (CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...) Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)	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	41	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))	BDBM50316261 (CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...) Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)	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
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