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BDBM50360293 CHEMBL1933280::US9150577, 81

SMILES: CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12

InChI Key: InChIKey=NRGYMIVHSWOTKI-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50360293   
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))
BDBM50360293
PNG
(CHEMBL1933280 | US9150577, 81)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-2-26-17-7-4-3-6-16(17)24-22(26)25-20(28)15-9-8-14-12-19-21(29)23-10-5-11-27(19)18(14)13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
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US Patent
n/an/a 1.10n/an/an/an/an/an/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,...


Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360293
PNG
(CHEMBL1933280 | US9150577, 81)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-2-26-17-7-4-3-6-16(17)24-22(26)25-20(28)15-9-8-14-12-19-21(29)23-10-5-11-27(19)18(14)13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
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Article
PubMed
n/an/a 40n/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)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360293
PNG
(CHEMBL1933280 | US9150577, 81)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-2-26-17-7-4-3-6-16(17)24-22(26)25-20(28)15-9-8-14-12-19-21(29)23-10-5-11-27(19)18(14)13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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)

More data for this
Ligand-Target Pair