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BDBM340389 US9758538, Example 77

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

InChI Key: InChIKey=DCNJLZWICOTKMA-NRFANRHFSA-N

Data: 1 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 1 hit for monomerid = 340389   
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))
BDBM340389
PNG
(US9758538, Example 77)
Show SMILES CCCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H30N8O4/c1-2-7-33-20(31)29-4-3-21(13-29,14-30)27-17-10-16(15-11-23-18(22)24-12-15)25-19(26-17)28-5-8-32-9-6-28/h10-12,30H,2-9,13-14H2,1H3,(H2,22,23,24)(H,25,26,27)/t21-/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)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair