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BDBM340361 US9758538, Example 49

SMILES: C[C@H]1COCCN1c1nc(NC2(CO)CN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1

InChI Key: InChIKey=XONATUCUTWLUSL-AWEZNQCLSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 340361   
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))
BDBM340361
PNG
(US9758538, Example 49)
Show SMILES C[C@H]1COCCN1c1nc(NC2(CO)CN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H32N8O4/c1-14-10-33-6-5-30(14)19-26-16(15-8-24-18(23)25-9-15)7-17(27-19)28-22(13-31)11-29(12-22)20(32)34-21(2,3)4/h7-9,14,31H,5-6,10-13H2,1-4H3,(H2,23,24,25)(H,26,27,28)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0830n/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