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SMILES: COc1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1

InChI Key: InChIKey=LUYLGHWQUPWABZ-UHFFFAOYSA-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 2 hits for monomerid = 50361865   
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))
BDBM50361865
PNG
(CHEMBL1938785 | US9150577, 147)
Show SMILES COc1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C20H19N3O3/c1-26-18-6-3-2-5-15(18)22-19(24)14-8-7-13-11-17-20(25)21-9-4-10-23(17)16(13)12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,25)(H,22,24)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM50361865
PNG
(CHEMBL1938785 | US9150577, 147)
Show SMILES COc1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C20H19N3O3/c1-26-18-6-3-2-5-15(18)22-19(24)14-8-7-13-11-17-20(25)21-9-4-10-23(17)16(13)12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,25)(H,22,24)
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KEGG

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair