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BDBM50360303 CHEMBL1933290::US9150577, 99

SMILES: CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12

InChI Key: InChIKey=LQZKYXLZCLMOGP-UHFFFAOYSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50360303   
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))
BDBM50360303
PNG
(CHEMBL1933290 | US9150577, 99)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12
Show InChI InChI=1S/C27H32N6O2/c1-27(2)16-28-25(35)23-14-18-10-11-19(15-22(18)33(23)17-27)24(34)30-26-29-20-8-5-6-9-21(20)32(26)13-7-12-31(3)4/h5-6,8-11,14-15H,7,12-13,16-17H2,1-4H3,(H,28,35)(H,29,30,34)
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Similars

US Patent
n/an/a 27n/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))
BDBM50360303
PNG
(CHEMBL1933290 | US9150577, 99)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12
Show InChI InChI=1S/C27H32N6O2/c1-27(2)16-28-25(35)23-14-18-10-11-19(15-22(18)33(23)17-27)24(34)30-26-29-20-8-5-6-9-21(20)32(26)13-7-12-31(3)4/h5-6,8-11,14-15H,7,12-13,16-17H2,1-4H3,(H,28,35)(H,29,30,34)
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MMDB

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PC sid
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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2-mediated CREB phosphorylation in HLR-CREB cells by cell based assay


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50360303
PNG
(CHEMBL1933290 | US9150577, 99)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12
Show InChI InChI=1S/C27H32N6O2/c1-27(2)16-28-25(35)23-14-18-10-11-19(15-22(18)33(23)17-27)24(34)30-26-29-20-8-5-6-9-21(20)32(26)13-7-12-31(3)4/h5-6,8-11,14-15H,7,12-13,16-17H2,1-4H3,(H,28,35)(H,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair