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SMILES: CC(C)N1CCN(CC1)C(=O)CCCC#Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=XSBQOGLHVAKLAL-QHCPKHFHSA-N

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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 = 236963   
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))
BDBM236963
PNG
(US9388189, 128)
Show SMILES CC(C)N1CCN(CC1)C(=O)CCCC#Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C32H36N10O2/c1-22(2)39-16-18-40(19-17-39)27(43)13-9-4-6-10-24-14-15-41-28(24)32(44)42(25-11-7-5-8-12-25)31(38-41)23(3)37-30-26(20-33)29(34)35-21-36-30/h5,7-8,11-12,14-15,21-23H,4,9,13,16-19H2,1-3H3,(H3,34,35,36,37)/t23-/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 4n/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