BDBM334122 9-ethyl-6-{[(3S)-1-(2- methylpropanoyl)pyrrolidin-3- yl]oxy}-8-(4,5,6,7- tetrahydropyrazolo[1,5- a]pyridin-3-yl)-9H-purine::US9730940, Compound 3-60

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnn2CCCCc12

InChI Key: InChIKey=RNJZPAKBVTUDGV-HNNXBMFYSA-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 = 334122   

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))	BDBM334122 (9-ethyl-6-{[(3S)-1-(2- methylpropanoyl)pyrrolidin-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C22H29N7O2/c1-4-28-19(16-11-25-29-9-6-5-7-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14(2)3/h11,13-15H,4-10,12H2,1-3H3/t15-/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