BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=UHZOLWKIKYVREI-NIKYMLFTSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381079   
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))		BDBM50381079
PNG
(CHEMBL2017517)
Show SMILES CCNC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NCC |r|
Show InChI InChI=1S/C27H30N2O12/c1-4-28-26(35)40-21-12(3)37-25(20(34)24(21)41-27(36)29-5-2)39-23-19(33)18-16(32)10-15(31)11-17(18)38-22(23)13-6-8-14(30)9-7-13/h6-12,20-21,24-25,30-31,33-34H,4-5H2,1-3H3,(H,28,35)(H,29,36)/t12-,20+,21-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.13E+3n/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)