BindingDB logo
myBDB logout

BDBM207304 US9260439, 488

SMILES: CNC(C)(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C

InChI Key: InChIKey=VLQWONPSKCCGSA-LOEJCXDFNA-N

Data: 1 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 1 hit for monomerid = 207304   
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))
BDBM207304
PNG
(US9260439, 488)
Show SMILES CNC(C)(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C
Show InChI InChI=1/C25H37N9O2/c1-16-14-36-11-10-33(16)23-30-19(17-12-28-22(26)29-13-17)18-6-8-34(20(18)31-23)25(4)7-9-32(15-25)21(35)24(2,3)27-5/h12-13,16,27H,6-11,14-15H2,1-5H3,(H2,26,28,29)/t16-,25-/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