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SMILES: CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1

InChI Key: InChIKey=YNOLINLXOHNAOX-AWEZNQCLSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 333924   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333924
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1- pr...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C19H23N7O2/c1-4-15(27)25-7-6-14(10-25)28-19-16-18(22-11-23-19)26(5-2)17(24-16)13-8-20-12(3)21-9-13/h8-9,11,14H,4-7,10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00237
BindingDB Entry DOI: 10.7270/Q28919NT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333924
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1- pr...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C19H23N7O2/c1-4-15(27)25-7-6-14(10-25)28-19-16-18(22-11-23-19)26(5-2)17(24-16)13-8-20-12(3)21-9-13/h8-9,11,14H,4-7,10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/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