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BDBM340337 US9758538, Example 25::US9758538, Example 26::US9758538, Example 27

SMILES: CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=WMHKZFVZNCNESN-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 340337   
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))
BDBM340337
PNG
(US9758538, Example 25 | US9758538, Example 26 | US...)
Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H34N8O4/c1-22(2,3)35-21(33)31-6-5-23(14-31,15-32)29(4)18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,32H,5-10,14-15H2,1-4H3,(H2,24,25,26)
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
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340337
PNG
(US9758538, Example 25 | US9758538, Example 26 | US...)
Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H34N8O4/c1-22(2,3)35-21(33)31-6-5-23(14-31,15-32)29(4)18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,32H,5-10,14-15H2,1-4H3,(H2,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0490n/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
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340337
PNG
(US9758538, Example 25 | US9758538, Example 26 | US...)
Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H34N8O4/c1-22(2,3)35-21(33)31-6-5-23(14-31,15-32)29(4)18-11-17(16-12-25-19(24)26-13-16)27-20(28-18)30-7-9-34-10-8-30/h11-13,32H,5-10,14-15H2,1-4H3,(H2,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.717n/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