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BDBM340466 US9758538, Example 156

SMILES: Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)C2CC2)c1F)N1CCOCC1

InChI Key: InChIKey=DPYYESVSFQEHQF-QFIPXVFZSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   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 = 340466   
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 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340466
PNG
(US9758538, Example 156)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)C2CC2)c1F)N1CCOCC1
Show InChI InChI=1S/C22H29FN8O3/c23-16-17(15-10-25-20(24)26-11-15)27-21(30-6-8-34-9-7-30)28-18(16)29-22(13-32)4-1-5-31(12-22)19(33)14-2-3-14/h10-11,14,32H,1-9,12-13H2,(H2,24,25,26)(H,27,28,29)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.454n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...


US Patent US9758538 (2017)

More data for this
Ligand-Target Pair