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BDBM333936 8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-({(3S)-1-[(1- methyl-1H-pyrazol-3- yl)carbonyl]pyrrolidin-3- yl}oxy)-9H-purine::US9730940, Compound 2-37

SMILES: CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc2n1C

InChI Key: InChIKey=DXCIMHKGLMJSQK-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 = 333936   
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))
BDBM333936
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc2n1C
Show InChI InChI=1S/C21H25N9O2/c1-5-30-13(2)15(10-24-30)18-25-17-19(28(18)4)22-12-23-20(17)32-14-6-9-29(11-14)21(31)16-7-8-27(3)26-16/h7-8,10,12,14H,5-6,9,11H2,1-4H3/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 2.20n/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