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SMILES: C[C@H](Nc1ncnc(N)c1-c1nnn[nH]1)c1nn2cccc2c(=O)n1-c1ccccc1

InChI Key: InChIKey=XZUMCDZMSAJYES-NSHDSACASA-N

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 2 hits for monomerid = 236918   
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))
BDBM236918
PNG
(US9388189, 1)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnn[nH]1)c1nn2cccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H17N11O/c1-11(23-16-14(15(20)21-10-22-16)17-24-27-28-25-17)18-26-29-9-5-8-13(29)19(31)30(18)12-6-3-2-4-7-12/h2-11H,1H3,(H3,20,21,22,23)(H,24,25,27,28)/t11-/m0/s1
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 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) preincubated for 30 mins followed by insulin stimulation for 5 mins by Western blot analysis


J Med Chem 62: 4783-4814 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01298
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236918
PNG
(US9388189, 1)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnn[nH]1)c1nn2cccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H17N11O/c1-11(23-16-14(15(20)21-10-22-16)17-24-27-28-25-17)18-26-29-9-5-8-13(29)19(31)30(18)12-6-3-2-4-7-12/h2-11H,1H3,(H3,20,21,22,23)(H,24,25,27,28)/t11-/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 15n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair