BDBM50428116 CHEMBL2331660

SMILES: COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C)CC4)c3c2n1

InChI Key: InChIKey=JEYFVTPEIYKAEC-UHFFFAOYSA-N

Data: 2 KI

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 = 50428116   

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 (PI3K alpha) (Mus musculus (Mouse))	BDBM50428116 (CHEMBL2331660) Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C)CC4)c3c2n1 Show InChI InChI=1S/C22H24N6O2/c1-26-10-8-15(9-11-26)28-21-18(27(2)22(28)29)13-23-17-6-5-16(25-20(17)21)14-4-7-19(30-3)24-12-14/h4-7,12-13,15H,8-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				ACS Med Chem Lett 4: 91-7 (2013) Article DOI: 10.1021/ml300309h BindingDB Entry DOI: 10.7270/Q2HX1F0B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50428116 (CHEMBL2331660) Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C)CC4)c3c2n1 Show InChI InChI=1S/C22H24N6O2/c1-26-10-8-15(9-11-26)28-21-18(27(2)22(28)29)13-23-17-6-5-16(25-20(17)21)14-4-7-19(30-3)24-12-14/h4-7,12-13,15H,8-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				ACS Med Chem Lett 4: 91-7 (2013) Article DOI: 10.1021/ml300309h BindingDB Entry DOI: 10.7270/Q2HX1F0B
					More data for this Ligand-Target Pair