BDBM334128 (R or S )-6-{[5- (cyclopropylcarbonyl)-5- azaspiro[2.4]hept-7-yl]oxy}-9- ethyl-8-(2-methylpyrimidin-5- yl)-9H-purine::US9730940, Compound 3-63::US9730940, Compound 3-64

SMILES: CCn1c(nc2c(OC3CN(CC33CC3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=ACNJOMWVEWCPGQ-UHFFFAOYSA-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 = 334128   

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))	BDBM334128 ((R or S )-6-{[5- (cyclopropylcarbonyl)-5- azaspir...) Show SMILES CCn1c(nc2c(OC3CN(CC33CC3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-18(15-8-23-13(2)24-9-15)27-17-19(29)25-12-26-20(17)31-16-10-28(11-22(16)6-7-22)21(30)14-4-5-14/h8-9,12,14,16H,3-7,10-11H2,1-2H3	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334128 ((R or S )-6-{[5- (cyclopropylcarbonyl)-5- azaspir...) Show SMILES CCn1c(nc2c(OC3CN(CC33CC3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-18(15-8-23-13(2)24-9-15)27-17-19(29)25-12-26-20(17)31-16-10-28(11-22(16)6-7-22)21(30)14-4-5-14/h8-9,12,14,16H,3-7,10-11H2,1-2H3	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	380	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