BDBM334007 9-ethyl-6-({(3S)-1-[(2- methylcyclopropyl)carbonyl] pyrrolidin-3-yl}oxy)-8-(2- methylpyrimidin-5-yl)-9H- purine::US9730940, Compound 2-108

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3C)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=MDXLUXBVEBQEMB-NRAUKZCXSA-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 = 334007   

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))	BDBM334007 (9-ethyl-6-({(3S)-1-[(2- methylcyclopropyl)carbonyl...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3C)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C21H25N7O2/c1-4-28-18(14-8-22-13(3)23-9-14)26-17-19(28)24-11-25-20(17)30-15-5-6-27(10-15)21(29)16-7-12(16)2/h8-9,11-12,15-16H,4-7,10H2,1-3H3/t12?,15-,16?/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	1.5	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
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