BDBM50396638 CHEMBL2171938

SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)n(C)c2n1

InChI Key: InChIKey=ZNSBCWQNPXMYDX-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 = 50396638   

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))	BDBM50396638 (CHEMBL2171938) Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)n(C)c2n1 Show InChI InChI=1S/C25H33N9O3S/c1-4-20-26-18-7-5-6-8-19(18)34(20)25-28-23-22(24(29-25)32-13-15-37-16-14-32)27-21(30(23)2)17-31-9-11-33(12-10-31)38(3,35)36/h5-8H,4,9-17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay				J Med Chem 55: 7686-95 (2012) Article DOI: 10.1021/jm300717c BindingDB Entry DOI: 10.7270/Q2DB8302
					More data for this Ligand-Target Pair