BDBM50355683 CHEMBL1911118

SMILES: CNc1cc(OC)c2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1

InChI Key: InChIKey=PPTQQODDLARVNH-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 = 50355683   

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 beta isoform (Homo sapiens (Human))	BDBM50355683 (CHEMBL1911118) Show SMILES CNc1cc(OC)c2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1 Show InChI InChI=1S/C21H26F2N8O3/c1-24-13-11-14-16(15(12-13)32-2)25-18(17(22)23)31(14)21-27-19(29-3-7-33-8-4-29)26-20(28-21)30-5-9-34-10-6-30/h11-12,17,24H,3-10H2,1-2H3	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	0.910	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging				J Med Chem 54: 7105-26 (2011) Article DOI: 10.1021/jm200688y BindingDB Entry DOI: 10.7270/Q20P10FQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha) (Mus musculus (Mouse))	BDBM50355683 (CHEMBL1911118) Show SMILES CNc1cc(OC)c2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1 Show InChI InChI=1S/C21H26F2N8O3/c1-24-13-11-14-16(15(12-13)32-2)25-18(17(22)23)31(14)21-27-19(29-3-7-33-8-4-29)26-20(28-21)30-5-9-34-10-6-30/h11-12,17,24H,3-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging				J Med Chem 54: 7105-26 (2011) Article DOI: 10.1021/jm200688y BindingDB Entry DOI: 10.7270/Q20P10FQ
					More data for this Ligand-Target Pair