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BDBM334029 9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl] pyrrolidin-3-yl}oxy)-8-(2- methylpyrimidin-5-yl)-9H- purine::US9730940, Compound 2-129

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=PNGBSTRVQGLGNA-PGEKIEPBSA-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 = 334029   
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))
BDBM334029
PNG
(9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(16-9-23-14(3)24-10-16)27-18-20(29)25-12-26-21(18)31-17-5-6-28(11-17)22(30)15-7-13(2)8-15/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t13?,15?,17-/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 1.30n/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