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BDBM50396638 CHEMBL2171938

SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)n(C)c2n1

InChI Key: InChIKey=ZNSBCWQNPXMYDX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396638   
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))
BDBM50396638
PNG
(CHEMBL2171938)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)n(C)c2n1
Show InChI InChI=1S/C25H33N9O3S/c1-4-20-26-18-7-5-6-8-19(18)34(20)25-28-23-22(24(29-25)32-13-15-37-16-14-32)27-21(30(23)2)17-31-9-11-33(12-10-31)38(3,35)36/h5-8H,4,9-17H2,1-3H3
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay


J Med Chem 55: 7686-95 (2012)


Article DOI: 10.1021/jm300717c
BindingDB Entry DOI: 10.7270/Q2DB8302
More data for this
Ligand-Target Pair