BindingDB logo
myBDB logout

BDBM334137 8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-({(3S)-1- [(trifluoromethyl)sulfonyl]pyrrol- idin-3-yl}oxy)-9H-purine::US9730940, Compound 4-3

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

InChI Key: InChIKey=YAAJRVOMNMWRSY-NSHDSACASA-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 = 334137   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334137
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)C(F)(F)F)ncnc2n1C
Show InChI InChI=1S/C17H20F3N7O3S/c1-4-27-10(2)12(7-23-27)14-24-13-15(25(14)3)21-9-22-16(13)30-11-5-6-26(8-11)31(28,29)17(18,19)20/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1
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 1.00E+3n/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