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SMILES: NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1

InChI Key: InChIKey=MMWVUKRVNHSCOU-CQSZACIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 30284   
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))
BDBM30284
PNG
(indole-based 6-membered lactam, (R)-4a)
Show SMILES NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r|
Show InChI InChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m1/s1
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PC sid
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Article
PubMed
n/an/a 970n/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
MAP kinase-activated protein kinase 2 [41-364]


(Homo sapiens (Human))
BDBM30284
PNG
(indole-based 6-membered lactam, (R)-4a)
Show SMILES NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r|
Show InChI InChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/a7.625



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 18: 1994-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.119
BindingDB Entry DOI: 10.7270/Q2ZW1J8V
More data for this
Ligand-Target Pair