BDBM50434816 CHEMBL2387084

SMILES: Cc1nnc([nH]1)-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1

InChI Key: InChIKey=DDRRVMBAHALKPP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50434816   

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))	BDBM50434816 (CHEMBL2387084) Show SMILES Cc1nnc([nH]1)-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1 Show InChI InChI=1S/C19H19N7O2/c1-12-21-18(24-23-12)16-11-25-5-7-28-17-8-13(2-3-15(17)19(25)22-16)14-9-20-26(10-14)4-6-27/h2-3,8-11,27H,4-7H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair