BDBM50403088 CHEMBL2216844

SMILES: COc1cc2c(CC3CCCC(C)C3)c(sc2cc1C)C(=O)Nc1nnn[nH]1

InChI Key: InChIKey=VFNNESNZARAGRT-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50403088   

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 delta isoform (Homo sapiens (Human))	BDBM50403088 (CHEMBL2216844) Show SMILES COc1cc2c(CC3CCCC(C)C3)c(sc2cc1C)C(=O)Nc1nnn[nH]1 Show InChI InChI=1S/C20H25N5O2S/c1-11-5-4-6-13(7-11)9-15-14-10-16(27-3)12(2)8-17(14)28-18(15)19(26)21-20-22-24-25-23-20/h8,10-11,13H,4-7,9H2,1-3H3,(H2,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair