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BDBM340410 US9758538, Example 98

SMILES: Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(CC(=O)N3CCC3)C2)nc(n1)N1CCOCC1

InChI Key: InChIKey=OGDUXTLRFUTYTF-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 = 340410   
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))
BDBM340410
PNG
(US9758538, Example 98)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(CC(=O)N3CCC3)C2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C22H31N9O3/c23-20-24-11-16(12-25-20)17-10-18(27-21(26-17)31-6-8-34-9-7-31)28-22(15-32)2-5-29(14-22)13-19(33)30-3-1-4-30/h10-12,32H,1-9,13-15H2,(H2,23,24,25)(H,26,27,28)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0710n/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