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BDBM333881 US9730940, Compound 1-34::tert-butyl (3S)-3-{[9-ethyl-8-(6- methoxy-5-methylpyridin-3-yl)- 9H-purin-6-yl]oxy}pyrrolidine- 1-carboxylate

SMILES: CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(OC)c(C)c1

InChI Key: InChIKey=WVFXHABTHMAMPN-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 333881   
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/gamma isoform


(Homo sapiens (Human))
BDBM333881
PNG
(US9730940, Compound 1-34 | tert-butyl (3S)-3-{[9-e...)
Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C23H30N6O4/c1-7-29-18(15-10-14(2)20(31-6)24-11-15)27-17-19(29)25-13-26-21(17)32-16-8-9-28(12-16)22(30)33-23(3,4)5/h10-11,13,16H,7-9,12H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.700n/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)


Article DOI: 10.1021/jm060967z
More data for this
Ligand-Target Pair