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SMILES: C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CCN4CCOCC4)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=LIMWFKHHOCVUJT-NRFANRHFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236969   
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))
BDBM236969
PNG
(US9388189, 144)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CCN4CCOCC4)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H32N10O2/c1-20-8-11-39-26(20)30(41)40(22-6-4-3-5-7-22)29(36-39)21(2)34-28-25-23(18-31-27(25)32-19-33-28)24-9-10-38(35-24)13-12-37-14-16-42-17-15-37/h3-11,18-19,21H,12-17H2,1-2H3,(H2,31,32,33,34)/t21-/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 2n/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