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BDBM340364 US9758538, Example 52

SMILES: CC(C)S(=O)(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1

InChI Key: InChIKey=MPPIHNOKSXACMF-FQEVSTJZSA-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 = 340364   
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))
BDBM340364
PNG
(US9758538, Example 52)
Show SMILES CC(C)S(=O)(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H30N8O4S/c1-14(2)33(30,31)28-4-3-20(12-28,13-29)26-17-9-16(15-10-22-18(21)23-11-15)24-19(25-17)27-5-7-32-8-6-27/h9-11,14,29H,3-8,12-13H2,1-2H3,(H2,21,22,23)(H,24,25,26)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0840n/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