BDBM334177 (S)-(3-((9-ethyl-8-(6- (trifluoromethyl)pyridin-3-yl)- 9H-purin-6-yl)oxy)pyrrolidin-1- yl)(3-methoxyazetidin-1- yl)methanone::US9730940, Compound 5-28

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=YTYSIVBLSXQKNP-AWEZNQCLSA-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 = 334177   

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))	BDBM334177 ((S)-(3-((9-ethyl-8-(6- (trifluoromethyl)pyridin-3-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N7O3/c1-3-32-18(13-4-5-16(26-8-13)22(23,24)25)29-17-19(32)27-12-28-20(17)35-14-6-7-30(9-14)21(33)31-10-15(11-31)34-2/h4-5,8,12,14-15H,3,6-7,9-11H2,1-2H3/t14-/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	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