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BDBM340409 US9758538, Example 97

SMILES: Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CNC2)nc(n1)N1CCOCC1

InChI Key: InChIKey=YHZRDYMTFSOJME-FQEVSTJZSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 340409   
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))
BDBM340409
PNG
(US9758538, Example 97)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CNC2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C21H28FN9O3/c22-21(10-24-11-21)17(33)31-2-1-20(12-31,13-32)29-16-7-15(14-8-25-18(23)26-9-14)27-19(28-16)30-3-5-34-6-4-30/h7-9,24,32H,1-6,10-13H2,(H2,23,25,26)(H,27,28,29)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
<0.0180n/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