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BDBM207028 US9260439, 10::US9260439, 4

SMILES: CC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=NAPNAGZGKVCYGY-QWVACARCNA-N

Data: 2 KI

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 = 207028   
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
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207028
PNG
(US9260439, 10 | US9260439, 4)
Show SMILES CC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C23H33N9O2/c1-22(2,25)19(33)31-7-5-23(3,14-31)32-6-4-16-17(15-12-26-20(24)27-13-15)28-21(29-18(16)32)30-8-10-34-11-9-30/h12-13H,4-11,14,25H2,1-3H3,(H2,24,26,27)/t23-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207028
PNG
(US9260439, 10 | US9260439, 4)
Show SMILES CC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C23H33N9O2/c1-22(2,25)19(33)31-7-5-23(3,14-31)32-6-4-16-17(15-12-26-20(24)27-13-15)28-21(29-18(16)32)30-8-10-34-11-9-30/h12-13H,4-11,14,25H2,1-3H3,(H2,24,26,27)/t23-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0230n/an/an/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair