BDBM334021 9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-((R or S)- spiro[2.4]hept-1- ylcarbonyl)pyrrolidin-3-yl]oxy}- 9H-purine::US9730940, Compound 2-122::US9730940, Compound 2-123

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=ULHNTBRHYKHWQA-ZENAZSQFSA-N

Data: 2 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 2 hits for monomerid = 334021   

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))	BDBM334021 (9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-((R...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H29N7O2/c1-3-31-20(16-11-25-15(2)26-12-16)29-19-21(31)27-14-28-22(19)33-17-6-9-30(13-17)23(32)18-10-24(18)7-4-5-8-24/h11-12,14,17-18H,3-10,13H2,1-2H3/t17-,18?/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334021 (9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-((R...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H29N7O2/c1-3-31-20(16-11-25-15(2)26-12-16)29-19-21(31)27-14-28-22(19)33-17-6-9-30(13-17)23(32)18-10-24(18)7-4-5-8-24/h11-12,14,17-18H,3-10,13H2,1-2H3/t17-,18?/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	16	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