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SMILES: Fc1cc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)C=C)c2=O)cc(F)c1F

InChI Key: InChIKey=RTQCYEBFZYOSJN-CQSZACIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366236   
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))		BDBM366236
PNG
(US9873693, Compound 159)
Show SMILES Fc1cc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)C=C)c2=O)cc(F)c1F |r|
Show InChI InChI=1S/C24H17F3N4O4/c1-2-14(12-35-15-5-6-19-20(10-15)30-24(34)29-19)28-22(32)16-4-3-7-31(23(16)33)11-13-8-17(25)21(27)18(26)9-13/h2-10,14H,1,11-12H2,(H,28,32)/t14-/m1/s1
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