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SMILES: CNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(Cl)c1

InChI Key: InChIKey=KTEVQEUEMLYYMP-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117011   
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
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM117011
PNG
(US8637532, 738)
Show SMILES CNC[C@@H](Nc1ncnc2c(cc(OC)cc12)C(N)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H20ClN5O2/c1-22-9-16(11-4-3-5-12(20)6-11)25-19-15-8-13(27-2)7-14(18(21)26)17(15)23-10-24-19/h3-8,10,16,22H,9H2,1-2H3,(H2,21,26)(H,23,24,25)/t16-/m1/s1
PDB
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Similars
US Patent
n/an/a 0.200n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...

US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair