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BDBM366302 US9873693, Compound 227

SMILES: NS(=O)(=O)c1cccc(c1)-c1cccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1

InChI Key: InChIKey=XWTWUNGTHHYCPJ-UHFFFAOYSA-N

Data: 1 IC50

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 = 366302   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-phosphoinositide-dependent protein kinase 1 (PDK1)


(Homo sapiens (Human))
BDBM366302
PNG
(US9873693, Compound 227)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1
Show InChI InChI=1S/C26H21F2N3O4S/c27-23-10-9-18(13-24(23)28)16-31-11-3-8-22(26(31)33)25(32)30-15-17-4-1-5-19(12-17)20-6-2-7-21(14-20)36(29,34)35/h1-14H,15-16H2,(H,30,32)(H2,29,34,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc

US Patent


Assay Description
A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ...


US Patent US9873693 (2018)


BindingDB Entry DOI: 10.7270/Q2H41TRT
More data for this
Ligand-Target Pair