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SMILES: COc1ccnc(NCCC#CCCNC(=O)c2cccn([C@H](C)c3ccc(Cl)cc3)c2=O)n1

InChI Key: InChIKey=OPSYCEBOQIZBSV-GOSISDBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366332   
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))		BDBM366332
PNG
(US9873693, Compound 259)
Show SMILES COc1ccnc(NCCC#CCCNC(=O)c2cccn([C@H](C)c3ccc(Cl)cc3)c2=O)n1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-18(19-9-11-20(26)12-10-19)31-17-7-8-21(24(31)33)23(32)27-14-5-3-4-6-15-28-25-29-16-13-22(30-25)34-2/h7-13,16-18H,5-6,14-15H2,1-2H3,(H,27,32)(H,28,29,30)/t18-/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