BDBM50004538 CHEMBL2216868

SMILES: Cn1c(nc2c(ncnc12)N1CCC(CC1)n1c2cccnc2[nH]c1=O)C(=O)NCC(F)(F)F

InChI Key: InChIKey=KZYGZJBRRBJVCK-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 = 50004538   

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))	BDBM50004538 (CHEMBL2216868) Show SMILES Cn1c(nc2c(ncnc12)N1CCC(CC1)n1c2cccnc2[nH]c1=O)C(=O)NCC(F)(F)F Show InChI InChI=1S/C20H20F3N9O2/c1-30-15-13(28-17(30)18(33)25-9-20(21,22)23)16(27-10-26-15)31-7-4-11(5-8-31)32-12-3-2-6-24-14(12)29-19(32)34/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,25,33)(H,24,29,34)	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	<50	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
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