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BDBM50361835 CHEMBL1938765::US9150577, 10

SMILES: CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1

InChI Key: InChIKey=WXEZWMNXEPCNCY-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50361835   
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 2


(Homo sapiens (Human))
BDBM50361835
PNG
(CHEMBL1938765 | US9150577, 10)
Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H18N4O2/c1-12-6-8-21-19(25)17-9-13-4-5-14(10-16(13)23(12)17)18(24)22-15-3-2-7-20-11-15/h2-5,7,9-12H,6,8H2,1H3,(H,21,25)(H,22,24)
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Similars

US Patent
n/an/a 41n/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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50361835
PNG
(CHEMBL1938765 | US9150577, 10)
Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H18N4O2/c1-12-6-8-21-19(25)17-9-13-4-5-14(10-16(13)23(12)17)18(24)22-15-3-2-7-20-11-15/h2-5,7,9-12H,6,8H2,1H3,(H,21,25)(H,22,24)
PDB
MMDB

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Article
PubMed
n/an/a 41n/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-3


(Homo sapiens (Human))
BDBM50361835
PNG
(CHEMBL1938765 | US9150577, 10)
Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H18N4O2/c1-12-6-8-21-19(25)17-9-13-4-5-14(10-16(13)23(12)17)18(24)22-15-3-2-7-20-11-15/h2-5,7,9-12H,6,8H2,1H3,(H,21,25)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene


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