BDBM333923 6-({(3S)-1-[(2,2- dimethyltetrahydro-2H-pyran-4- yl)carbonyl]pyrrolidin-3- yl}oxy)-8-(1-ethyl-5-methyl- 1H-pyrazol-4-yl)-9-methyl-9H- purine::US9730940, Compound 2-24

SMILES: CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)ncnc2n1C

InChI Key: InChIKey=KLQNYIBGEORHCA-DJNXLDHESA-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 = 333923   

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))	BDBM333923 (6-({(3S)-1-[(2,2- dimethyltetrahydro-2H-pyran-4- y...) Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)ncnc2n1C |r| Show InChI InChI=1S/C24H33N7O3/c1-6-31-15(2)18(12-27-31)20-28-19-21(29(20)5)25-14-26-22(19)34-17-7-9-30(13-17)23(32)16-8-10-33-24(3,4)11-16/h12,14,16-17H,6-11,13H2,1-5H3/t16?,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair