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BDBM334232 (S)-tert-butyl 3-((8-(1-ethyl-5- methyl-1H-pyrazol-4-yl)-9- methyl-9H-purin-6- yl)sulfonyl)pyrrolidine-1- carboxylate::US9730940, Compound 10-2

SMILES: CCn1ncc(c1C)-c1nc2c(ncnc2n1C)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=BLBJCBHAJGAWQK-UHFFFAOYSA-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 = 334232   
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))
BDBM334232
PNG
((S)-tert-butyl 3-((8-(1-ethyl-5- methyl-1H-pyrazol...)
Show SMILES CCn1ncc(c1C)-c1nc2c(ncnc2n1C)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H29N7O4S/c1-7-28-13(2)15(10-24-28)17-25-16-18(26(17)6)22-12-23-19(16)33(30,31)14-8-9-27(11-14)20(29)32-21(3,4)5/h10,12,14H,7-9,11H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/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)


BindingDB Entry DOI: 10.7270/Q2BP04WX
More data for this
Ligand-Target Pair