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SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN([C@H]4CC[C@H](O)CC4)C(=O)C3)cc2n1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50560667   
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))
BDBM50560667
PNG
(CHEMBL4796048)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN([C@H]4CC[C@H](O)CC4)C(=O)C3)cc2n1 |r,wU:28.30,wD:31.34,(54.67,-34.34,;53.21,-34.82,;52.06,-33.78,;50.55,-34.1,;49.79,-32.77,;48.29,-32.45,;47.81,-31,;48.84,-29.85,;50.34,-30.17,;50.82,-31.63,;52.22,-32.25,;53.56,-31.48,;53.56,-29.94,;54.89,-29.17,;54.89,-27.63,;56.23,-26.86,;56.23,-25.33,;54.89,-24.55,;53.56,-25.33,;53.56,-26.87,;56.23,-29.93,;57.69,-29.44,;58.61,-30.69,;60.15,-30.68,;60.91,-29.34,;60.13,-28.02,;60.9,-26.68,;62.45,-26.68,;63.21,-25.35,;62.43,-24.02,;63.21,-22.68,;64.75,-22.68,;65.52,-21.35,;65.52,-24.02,;64.75,-25.35,;63.22,-28.01,;64.76,-28.01,;62.46,-29.34,;57.71,-31.94,;56.24,-31.47,;54.89,-32.25,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair