BDBM334232 (S)-tert-butyl 3-((8-(1-ethyl-5- methyl-1H-pyrazol-4-yl)-9- methyl-9H-purin-6- yl)sulfonyl)pyrrolidine-1- carboxylate::US9730940, Compound 10-2

SMILES: CCn1ncc(c1C)-c1nc2c(ncnc2n1C)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=BLBJCBHAJGAWQK-UHFFFAOYSA-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 = 334232   

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/gamma isoform (Homo sapiens (Human))	BDBM334232 ((S)-tert-butyl 3-((8-(1-ethyl-5- methyl-1H-pyrazol...) Show SMILES CCn1ncc(c1C)-c1nc2c(ncnc2n1C)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H29N7O4S/c1-7-28-13(2)15(10-24-28)17-25-16-18(26(17)6)22-12-23-19(16)33(30,31)14-8-9-27(11-14)20(29)32-21(3,4)5/h10,12,14H,7-9,11H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	160	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