BDBM334112 6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]oxy}-9-ethyl-8-(5-fluoro- 6-methoxypyridin-3-yl)-9H- purine::US9730940, Compound 3-53

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(F)c1

InChI Key: InChIKey=CNTXNESSHOHLEW-AWEZNQCLSA-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 = 334112   

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))	BDBM334112 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(F)c1 |r| Show InChI InChI=1S/C21H23FN6O3/c1-3-28-17(13-8-15(22)19(30-2)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/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