BDBM50316290 1-methoxy-3-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1Hpyrazolo[3,4-d]pyrimidin-6-yl}phenyl)urea::CHEMBL1095946

SMILES: CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1

InChI Key: InChIKey=BWBYDAOVOQPPDO-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 = 50316290   

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))	BDBM50316290 (1-methoxy-3-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-y...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1 Show InChI InChI=1S/C28H33N9O3/c1-39-34-28(38)31-22-6-4-21(5-7-22)25-32-26(36-13-15-40-16-14-36)24-18-30-37(27(24)33-25)23-8-11-35(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,31,34,38)	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	1.01E+3	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))	BDBM50316290 (1-methoxy-3-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-y...) Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1 Show InChI InChI=1S/C28H33N9O3/c1-39-34-28(38)31-22-6-4-21(5-7-22)25-32-26(36-13-15-40-16-14-36)24-18-30-37(27(24)33-25)23-8-11-35(12-9-23)19-20-3-2-10-29-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,31,34,38)	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	23	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