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SMILES: C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OCC(C)=O)[C@H]1OCC(C)=O

InChI Key: InChIKey=JUFRIMNHMISBLW-RFVSBOAQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381078   
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 alpha-3


(Homo sapiens (Human))		BDBM50381078
PNG
(CHEMBL2017518)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OCC(C)=O)[C@H]1OCC(C)=O |r|
Show InChI InChI=1S/C27H28O12/c1-12(28)10-35-23-14(3)37-27(22(34)25(23)36-11-13(2)29)39-26-21(33)20-18(32)8-17(31)9-19(20)38-24(26)15-4-6-16(30)7-5-15/h4-9,14,22-23,25,27,30-31,33-34H,10-11H2,1-3H3/t14-,22+,23-,25-,27-/m0/s1
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n/an/a 252n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay

Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
BindingDB Entry DOI: 10.7270/Q2QN67S5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)