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SMILES: Nc1ncnc2ccc(cc12)-c1cccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1

InChI Key: InChIKey=GFKQTBJRHCXFFF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366141   
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
3-phosphoinositide-dependent protein kinase 1 [51-360]


(Homo sapiens (Human))		BDBM366141
PNG
(US9873693, Compound 64)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1
Show InChI InChI=1S/C28H21F2N5O2/c29-23-8-6-18(12-24(23)30)15-35-10-2-5-21(28(35)37)27(36)32-14-17-3-1-4-19(11-17)20-7-9-25-22(13-20)26(31)34-16-33-25/h1-13,16H,14-15H2,(H,32,36)(H2,31,33,34)
PDB

UniProtKB/SwissProt

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



Duquesne University



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) ...

J Med Chem 51: 68-76 (2008)


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