BDBM50092773 CHEMBL3586394

SMILES: CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1

InChI Key: InChIKey=HDJQPSZZAWLLJX-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 = 50092773   

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))	BDBM50092773 (CHEMBL3586394) Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23)	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) by mobility shift assay				J Med Chem 58: 5323-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00626 BindingDB Entry DOI: 10.7270/Q208672F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50092773 (CHEMBL3586394) Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay				J Med Chem 58: 5323-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00626 BindingDB Entry DOI: 10.7270/Q208672F
					More data for this Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1) (Homo sapiens (Human))	BDBM50092773 (CHEMBL3586394) Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr				J Med Chem 58: 5323-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00626 BindingDB Entry DOI: 10.7270/Q208672F
					More data for this Ligand-Target Pair