BDBM50434808 CHEMBL2386972

SMILES: CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCN2CCOCC2)c1

InChI Key: InChIKey=IUNJEPPTIHCMCO-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50434808   

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))	BDBM50434808 (CHEMBL2386972) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C26H32N8O2/c1-18(2)34-26(28-19(3)30-34)23-17-32-10-13-36-24-14-20(4-5-22(24)25(32)29-23)21-15-27-33(16-21)7-6-31-8-11-35-12-9-31/h4-5,14-18H,6-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434808 (CHEMBL2386972) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C26H32N8O2/c1-18(2)34-26(28-19(3)30-34)23-17-32-10-13-36-24-14-20(4-5-22(24)25(32)29-23)21-15-27-33(16-21)7-6-31-8-11-35-12-9-31/h4-5,14-18H,6-13H2,1-3H3	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human MCF7-neo/Her2 cells assessed as reduction of AKT phosphorylation at S473				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