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SMILES: Fc1ccc(Cn2cccc(C(=O)NCCCc3ccc4[nH]c(=O)[nH]c4c3)c2=O)cc1F

InChI Key: InChIKey=LIIYEGQGKFZWBB-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366238   
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))		BDBM366238
PNG
(US9873693, Compound 161)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCCCc3ccc4[nH]c(=O)[nH]c4c3)c2=O)cc1F
Show InChI InChI=1S/C23H20F2N4O3/c24-17-7-5-15(11-18(17)25)13-29-10-2-4-16(22(29)31)21(30)26-9-1-3-14-6-8-19-20(12-14)28-23(32)27-19/h2,4-8,10-12H,1,3,9,13H2,(H,26,30)(H2,27,28,32)
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