BDBM334029 9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl] pyrrolidin-3-yl}oxy)-8-(2- methylpyrimidin-5-yl)-9H- purine::US9730940, Compound 2-129

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=PNGBSTRVQGLGNA-PGEKIEPBSA-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 = 334029   

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))	BDBM334029 (9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1 |r,wD:8.7,(-1.31,-6.45,;-2.4,-5.36,;-2,-3.88,;-2.91,-2.63,;-2,-1.39,;-.54,-1.86,;.79,-1.09,;.79,.45,;2.13,1.22,;3.59,.74,;4.5,1.99,;3.59,3.23,;2.13,2.76,;3.99,4.72,;2.9,5.81,;5.48,5.12,;6.81,4.35,;7.58,5.68,;9.07,6.08,;6.25,6.45,;2.13,-1.86,;2.13,-3.4,;.79,-4.17,;-.54,-3.4,;-4.45,-2.63,;-5.22,-1.3,;-6.76,-1.3,;-7.53,-2.63,;-9.07,-2.63,;-6.76,-3.97,;-5.22,-3.97,)| Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(16-9-23-14(3)24-10-16)27-18-20(29)25-12-26-21(18)31-17-5-6-28(11-17)22(30)15-7-13(2)8-15/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t13?,15?,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	1.30	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