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BDBM366147 US9873693, Compound 70

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)s1

InChI Key: InChIKey=LFIXISSKTCEOLA-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 = 366147   
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))
BDBM366147
PNG
(US9873693, Compound 70)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)s1
Show InChI InChI=1S/C26H19F2N5O2S/c27-20-6-3-15(10-21(20)28)13-33-9-1-2-18(26(33)35)25(34)30-12-17-5-8-23(36-17)16-4-7-22-19(11-16)24(29)32-14-31-22/h1-11,14H,12-13H2,(H,30,34)(H2,29,31,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/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