BDBM50177670 CHEMBL3814365

SMILES: CCc1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=QZUIFYYZVSWWCN-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 = 50177670   

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))	BDBM50177670 (CHEMBL3814365) Show SMILES CCc1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C16H20N8O/c1-3-11-20-12-14(23(11)2)21-13(10-8-18-16(17)19-9-10)22-15(12)24-4-6-25-7-5-24/h8-9H,3-7H2,1-2H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl...				ACS Med Chem Lett 7: 351-6 (2016) BindingDB Entry DOI: 10.7270/Q2WQ05QD
					More data for this Ligand-Target Pair