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BDBM334113 9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3S)- 1-(2- methylpropanoyl)pyrrolidin-3- yl]oxy}-9H-purine::US9730940, Compound 3-54

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

InChI Key: InChIKey=QXFTUJTUBUSHAI-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 = 334113   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334113
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C21H25FN6O3/c1-5-28-17(13-8-15(22)19(30-4)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair