BDBM50052823 CHEMBL3318718

SMILES: CC(Oc1ccccc1C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO

InChI Key: InChIKey=BQBVOZGPSDTTCG-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 = 50052823   

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))	BDBM50052823 (CHEMBL3318718) Show SMILES CC(Oc1ccccc1C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO Show InChI InChI=1S/C25H30N4O5/c1-17-6-4-5-7-21(17)34-18(2)20-14-19(25(32)27(3)8-11-30)16-29-23(31)15-22(26-24(20)29)28-9-12-33-13-10-28/h4-7,14-16,18,30H,8-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay				Bioorg Med Chem Lett 24: 3936-43 (2014) Article DOI: 10.1016/j.bmcl.2014.07.007 BindingDB Entry DOI: 10.7270/Q2BP04F3
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50052823 (CHEMBL3318718) Show SMILES CC(Oc1ccccc1C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO Show InChI InChI=1S/C25H30N4O5/c1-17-6-4-5-7-21(17)34-18(2)20-14-19(25(32)27(3)8-11-30)16-29-23(31)15-22(26-24(20)29)28-9-12-33-13-10-28/h4-7,14-16,18,30H,8-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay				Bioorg Med Chem Lett 24: 3936-43 (2014) Article DOI: 10.1016/j.bmcl.2014.07.007 BindingDB Entry DOI: 10.7270/Q2BP04F3
					More data for this Ligand-Target Pair