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BDBM340367 US9758538, Example 55

SMILES: Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@H](O)c2ccccc2)nc(n1)N1CCOCC1

InChI Key: InChIKey=WNLAAZHHVLIOGQ-BWKNWUBXSA-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 = 340367   
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))
BDBM340367
PNG
(US9758538, Example 55)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@H](O)c2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C25H30N8O4/c26-23-27-13-18(14-28-23)19-12-20(30-24(29-19)32-8-10-37-11-9-32)31-25(16-34)6-7-33(15-25)22(36)21(35)17-4-2-1-3-5-17/h1-5,12-14,21,34-35H,6-11,15-16H2,(H2,26,27,28)(H,29,30,31)/t21-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.371n/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